G025-0061 Screening compound: 4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[3-(methylsulfanyl)phenyl]benzamide

G025-0061 Screening compound: 4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[3-(methylsulfanyl)phenyl]benzamide
G025-0061 Screening compound: 4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[3-(methylsulfanyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G025-0061
4-(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

G025-0061

Molecular Formula

C17H18N2O3S2 (C17 H18 N2 O3 S2)

Compound Name

4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-[3-(methylsulfanyl)phenyl]benzamide

IUPAC name

4-(11-dioxo-1lambda62-thiazolidin-2-yl)-N-[3-(methylsulfanyl)phenyl]benzamide

SMILES

CSc1cccc(NC(c(cc2)ccc2N(CCC2)S2(=O)=O)=O)c1

InChI

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

InChI Key

CVTINGOSJHKGHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10824664

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

2.454

Distribution Coefficient, logD

2.454

Water Solubility, LogSw

-3.00

Polar Surface Area

55.365

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

G025-0061 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleic Acid Ligands (8311 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G025-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G025-0061?
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What is the minimum amount of G025-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G025-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G025-0061
  • 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 G025-0061 available by request