G534-2587 Screening compound: 2-[(1-{[(2-chlorophenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

G534-2587 Screening compound: 2-[(1-{[(2-chlorophenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
G534-2587 Screening compound: 2-[(1-{[(2-chlorophenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G534-2587
2-[(1-{[(2-chlorophenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

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

G534-2587

Molecular Formula

C24H21ClN4O3S (C24 H21 ClN4 O3 S)

Compound Name

2-[(1-{[(2-chlorophenyl)carbamoyl]methyl}-1H-1,3-benzodiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

IUPAC name

2-[(1-{[(2-chlorophenyl)carbamoyl]methyl}-1H-13-benzodiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide

SMILES

COc(cc1)ccc1NC(CSc1nc(cccc2)c2n1CC(Nc(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C24H21ClN4O3S/c1-32-17-12-10-16(11-13-17)26-23(31)15-33-24-28-20-8-4-5-9-21(20)29(24)14-22(30)27-19-7-3-2-6-18(19)25/h2-13H,14-15H2,1H3,(H,26,31)(H,27,30)

InChI Key

JMTNPGDAWFMISR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15016900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.816

Distribution Coefficient, logD

4.815

Water Solubility, LogSw

-4.77

Polar Surface Area

63.622

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

G534-2587 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G534-2587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G534-2587?
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What is the minimum amount of G534-2587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G534-2587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G534-2587
  • 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 G534-2587 available by request