G025-0191 Screening compound: 3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[3-(methylsulfanyl)phenyl]benzamide

G025-0191 Screening compound: 3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[3-(methylsulfanyl)phenyl]benzamide
G025-0191 Screening compound: 3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[3-(methylsulfanyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G025-0191
3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[3-(methylsulfanyl)phenyl]benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G025-0191

Molecular Formula

C17H18N2O3S2 (C17 H18 N2 O3 S2)

Compound Name

3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[3-(methylsulfanyl)phenyl]benzamide

IUPAC name

3-(11-dioxo-1lambda62-thiazolidin-2-yl)-N-[3-(methylsulfanyl)phenyl]benzamide

SMILES

CSc1cccc(NC(c2cccc(N(CCC3)S3(=O)=O)c2)=O)c1

InChI

InChI=1S/C17H18N2O3S2/c1-23-16-8-3-6-14(12-16)18-17(20)13-5-2-7-15(11-13)19-9-4-10-24(19,21)22/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,18,20)

InChI Key

RGUVWDLLTQYWKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10876182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.538

Distribution Coefficient, logD

2.538

Water Solubility, LogSw

-3.06

Polar Surface Area

55.365

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

G025-0191 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G025-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G025-0191?
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What is the minimum amount of G025-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G025-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G025-0191
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G025-0191 available by request