G025-0020 Screening compound: 4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methylphenyl)benzamide

G025-0020 Screening compound: 4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methylphenyl)benzamide
G025-0020 Screening compound: 4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methylphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G025-0020
4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methylphenyl)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

G025-0020

Molecular Formula

C17H18N2O3S (C17 H18 N2 O3 S)

Compound Name

4-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-(3-methylphenyl)benzamide

IUPAC name

4-(11-dioxo-1lambda62-thiazolidin-2-yl)-N-(3-methylphenyl)benzamide

SMILES

Cc1cccc(NC(c(cc2)ccc2N(CCC2)S2(=O)=O)=O)c1

InChI

InChI=1S/C17H18N2O3S/c1-13-4-2-5-15(12-13)18-17(20)14-6-8-16(9-7-14)19-10-3-11-23(19,21)22/h2,4-9,12H,3,10-11H2,1H3,(H,18,20)

InChI Key

UPWFJWJOCYMELT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10824070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.353

Distribution Coefficient, logD

2.353

Water Solubility, LogSw

-2.90

Polar Surface Area

55.365

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

G025-0020 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G025-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G025-0020?
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What is the minimum amount of G025-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G025-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G025-0020
  • 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 G025-0020 available by request