G795-0390 Screening compound: N~3~-(5-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-methylphenyl)-1,2-benzisothiazole-3-carboxamide

G795-0390 Screening compound: N~3~-(5-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-methylphenyl)-1,2-benzisothiazole-3-carboxamide
G795-0390 Screening compound: N~3~-(5-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-methylphenyl)-1,2-benzisothiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G795-0390
N~3~-(5-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-methylphenyl)-1,2-benzisothiazole-3-carboxamide

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

G795-0390

Molecular Formula

C20H19N3O4S2 (C20 H19 N3 O4 S2)

Compound Name

N~3~-(5-{[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]carbonyl}-2-methylphenyl)-1,2-benzisothiazole-3-carboxamide

IUPAC name

N-{5-[(11-dioxo-1lambda6-thiolan-3-yl)carbamoyl]-2-methylphenyl}-12-benzothiazole-3-carboxamide

SMILES

Cc(ccc(C(NC(CC1)CS1(=O)=O)=O)c1)c1NC(c1nsc2c1cccc2)=O

InChI

InChI=1S/C20H19N3O4S2/c1-12-6-7-13(19(24)21-14-8-9-29(26,27)11-14)10-16(12)22-20(25)18-15-4-2-3-5-17(15)28-23-18/h2-7,10,14H,8-9,11H2,1H3,(H,21,24)(H,22,25)/t14-/m1/s1

InChI Key

ZYPQVKMLDHUWBW-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27159732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.190

Distribution Coefficient, logD

2.190

Water Solubility, LogSw

-2.93

Polar Surface Area

86.198

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G795-0390 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G795-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G795-0390?
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What is the minimum amount of G795-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G795-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G795-0390
  • 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 G795-0390 available by request