G795-0013 Screening compound: N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide

G795-0013 Screening compound: N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide
G795-0013 Screening compound: N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G795-0013
N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1,2-benzothiazole-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

G795-0013

Molecular Formula

C23H17N3O4S (C23 H17 N3 O4 S)

Compound Name

N-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-1,2-benzothiazole-3-carboxamide

IUPAC name

N-(4-{[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-12-benzothiazole-3-carboxamide

SMILES

O=C(c1nsc2c1cccc2)Nc(cc1)ccc1C(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C23H17N3O4S/c27-22(24-12-14-5-10-18-19(11-14)30-13-29-18)15-6-8-16(9-7-15)25-23(28)21-17-3-1-2-4-20(17)31-26-21/h1-11H,12-13H2,(H,24,27)(H,25,28)

InChI Key

MPNZUYRQSXUYSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15036308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.133

Distribution Coefficient, logD

4.133

Water Solubility, LogSw

-4.46

Polar Surface Area

75.849

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

G795-0013 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G795-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G795-0013?
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What is the minimum amount of G795-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G795-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G795-0013
  • 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 G795-0013 available by request