ChemBank

(2R) - 2- (3- chlorophenyl) - 3- (methylsulfonyl) - 1,3- thiazolidine

ChemBankID: 1597313

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Names:	(2R) - 2- (3- chlorophenyl) - 3- (methylsulfonyl) - 1,3- thiazolidine (IUPAC), 2- (3- chlorophenyl) - 3- (methylsulfonyl) - 1,3- thiazolidine (IUPAC)
SMILES:	CS(=O) (=O) N1CCSC1c2cccc(Cl) c2
InChI:	1/C10H12ClNO2S2/c1- 16(13,14) 12- 5- 6- 15- 10(12) 8- 3- 2- 4- 9(11) 7- 8/h2- 4,7,10H,5- 6H2,1H3
Pubchem Substances:	47996538 47996537 11358718

Molecular Weight:	277.79078
Rotatable Bonds:	2
HBond Acceptors:	3
HBond Donors:	0
LogP by GhoseCrippen:	2.25

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Sample Information

Source	Library	Plate	Well	Virtual ID	Pubchem Substance	Autofluorescence*
IFLab	IFLab1	1426	J13	IFLab1_005139	11358718	Not Tested

* Autofluorescence testing is performed over a range of excitation wavelengths using the following methodology.

Screening Test Instances

Project Name	Assay Name	Assay Type	Plate	Well	Z-score	Composite Z-Score	Standard Hit
PDERegulators	OpticalDensity(1091.0050)	HTS (microorganism)	1091.0050.1426.B	J13	6.27	9.3501	1.0
PDERegulators	OpticalDensity(1091.0050)	HTS (microorganism)	1091.0050.1426.A	J13	6.95	9.3501	1.0
PDERegulators	OpticalDensity(1091.0049)	HTS (microorganism)	1091.0049.1426.B	J13	3.42	4.1128	0.0
PDERegulators	OpticalDensity(1091.0049)	HTS (microorganism)	1091.0049.1426.A	J13	2.4	4.1128	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0064)	HTS (cell-based)	1012.0064.1426.B	J13	1.77	1.8043	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0064)	HTS (cell-based)	1012.0064.1426.A	J13	0.79	1.8043	0.0
PDERegulators	OpticalDensity(1091.0097)	HTS (microorganism)	1091.0097.1426.B	J13	1.07	1.7322	0.0
PDERegulators	OpticalDensity(1091.0097)	HTS (microorganism)	1091.0097.1426.A	J13	1.38	1.7322	0.0
ChaperoneInhibition	OpticalDensity(1074.0011)	HTS (microorganism)	1074.0011.1426.B	J13	0.99	1.7077	0.0
ChaperoneInhibition	OpticalDensity(1074.0011)	HTS (microorganism)	1074.0011.1426.A	J13	1.42	1.7077	0.0
EColiFilamentation2006	OpticalDensity(1038.0020)	HTS (microorganism)	1038.0020.1426.A	J13	1.39	1.3851	0.0
PDERegulators	OpticalDensity(1091.0096)	HTS (microorganism)	1091.0096.1426.B	J13	1.27	1.0311	0.0
PDERegulators	OpticalDensity(1091.0096)	HTS (microorganism)	1091.0096.1426.A	J13	0.19	1.0311	0.0
TrypanothioneReductase	EnzCoupledColor(1017.0009)	HTS (homogeneous)	1017.0009.1426.B	J13	0.35	0.8171	0.0
TrypanothioneReductase	EnzCoupledColor(1017.0009)	HTS (homogeneous)	1017.0009.1426.A	J13	0.8	0.8171	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0145)	HTS (cell-based)	1012.0145.1426.B	J13	0.47	0.4602	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0145)	HTS (cell-based)	1012.0145.1426.A	J13	0.18	0.4602	0.0
HoxDNA-BindingAssay	FluorOligo(1031.0009)	HTS (homogeneous)	1031.0009.1426.B	J13	0.48	0.3871	0.0
HoxDNA-BindingAssay	FluorOligo(1031.0009)	HTS (homogeneous)	1031.0009.1426.A	J13	0.06	0.3871	0.0
PSACAntagonistScreen	OpticalDensity(1035.0019)	HTS (microorganism)	1035.0019.1426.A	J13	0.35	0.3471	0.0
EColiFilamentation2006	OpticalDensity(1038.0019)	HTS (microorganism)	1038.0019.1426.A	J13	0.25	0.2539	0.0
HemeDetoxification	OpticalDensity(1051.0021)	HTS (homogeneous)	1051.0021.1426.B	J13	-0.06	0.1935	0.0
HemeDetoxification	OpticalDensity(1051.0021)	HTS (homogeneous)	1051.0021.1426.A	J13	0.34	0.1935	0.0
PSACAntagonistScreen	OpticalDensity(1035.0020)	HTS (homogeneous)	1035.0020.1426.A	J13	0.02	0.0167	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0065)	HTS (cell-based)	1012.0065.1426.B	J13	-0.02	-1.3969	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0065)	HTS (cell-based)	1012.0065.1426.A	J13	-1.95	-1.3969	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0147)	HTS (homogeneous)	1012.0147.1426.B	J13	-0.51	-1.2674	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0147)	HTS (homogeneous)	1012.0147.1426.A	J13	-1.28	-1.2674	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0148)	HTS (homogeneous)	1012.0148.1426.B	J13	-0.54	-1.2356	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0148)	HTS (homogeneous)	1012.0148.1426.A	J13	-1.21	-1.2356	0.0
HemeDetoxification	Calc(E1-E2)(1051.0041)	HTS (homogeneous)	1051.0041.1426.B	J13	-0.89	-0.9663	0.0
HemeDetoxification	Calc(E1-E2)(1051.0041)	HTS (homogeneous)	1051.0041.1426.A	J13	-0.47	-0.9663	0.0
HemeDetoxification	OpticalDensity(1051.0022)	HTS (homogeneous)	1051.0022.1426.B	J13	-1.02	-0.8836	0.0
HemeDetoxification	OpticalDensity(1051.0022)	HTS (homogeneous)	1051.0022.1426.A	J13	-0.23	-0.8836	0.0
EColiFilamentation2006	OpticalDensity(1038.0021)	HTS (microorganism)	1038.0021.1426.A	J13	-0.88	-0.8819	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0022)	HTS (cell-based)	1012.0022.1426.B	J13	-0.68	-0.8456	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0022)	HTS (cell-based)	1012.0022.1426.A	J13	-0.52	-0.8456	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0146)	HTS (cell-based)	1012.0146.1426.B	J13	-0.51	-0.8025	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0146)	HTS (cell-based)	1012.0146.1426.A	J13	-0.63	-0.8025	0.0
NOXSuperoxideGeneration	CellTiterGlo(1012.0043)	HTS (cell-based)	1012.0043.1426.B	J13	-0.65	-0.5202	0.0
NOXSuperoxideGeneration	CellTiterGlo(1012.0043)	HTS (cell-based)	1012.0043.1426.A	J13	-0.09	-0.5202	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0021)	HTS (cell-based)	1012.0021.1426.B	J13	-0.34	-0.4801	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0021)	HTS (cell-based)	1012.0021.1426.A	J13	-0.34	-0.4801	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0024)	HTS (cell-based)	1012.0024.1426.B	J13	0.02	-0.3429	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0024)	HTS (cell-based)	1012.0024.1426.A	J13	-0.51	-0.3429	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0023)	HTS (cell-based)	1012.0023.1426.B	J13	-0.24	-0.3084	0.0
NOXSuperoxideGeneration	AmplexRed(1012.0023)	HTS (cell-based)	1012.0023.1426.A	J13	-0.2	-0.3084	0.0
EColiFilamentation2006	OpticalDensity(1038.0022)	HTS (microorganism)	1038.0022.1426.A	J13	-0.1	-0.1034	0.0
HoxDNA-BindingAssay	FluorOligo(1031.0010)	HTS (homogeneous)	1031.0010.1426.B	J13	-0.17	-0.0187	0.0
HoxDNA-BindingAssay	FluorOligo(1031.0010)	HTS (homogeneous)	1031.0010.1426.A	J13	0.14	-0.0187	0.0

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