G025-0131 Screening compound: 3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-phenylbenzamide

G025-0131 Screening compound: 3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-phenylbenzamide
G025-0131 Screening compound: 3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G025-0131
3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-phenylbenzamide

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

G025-0131

Molecular Formula

C16H16N2O3S (C16 H16 N2 O3 S)

Compound Name

3-(1,1-dioxotetrahydro-2H-1lambda~6~-isothiazol-2-yl)-N~1~-phenylbenzamide

IUPAC name

3-(11-dioxo-1lambda62-thiazolidin-2-yl)-N-phenylbenzamide

SMILES

O=C(c1cccc(N(CCC2)S2(=O)=O)c1)Nc1ccccc1

InChI

InChI=1S/C16H16N2O3S/c19-16(17-14-7-2-1-3-8-14)13-6-4-9-15(12-13)18-10-5-11-22(18,20)21/h1-4,6-9,12H,5,10-11H2,(H,17,19)

InChI Key

JGPOJPJFQMOEJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14978078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

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

1.885

Distribution Coefficient, logD

1.885

Water Solubility, LogSw

-2.76

Polar Surface Area

55.365

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

G025-0131 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with G025-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G025-0131?
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What is the minimum amount of G025-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G025-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G025-0131
  • 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 G025-0131 available by request