G731-0240 Screening compound: 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide

G731-0240 Screening compound: 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
G731-0240 Screening compound: 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0240
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)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

G731-0240

Molecular Formula

C18H17ClN4O3S (C18 H17 ClN4 O3 S)

Compound Name

2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide

IUPAC name

2-{[5-(2-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}-N-(35-dimethoxyphenyl)acetamide

SMILES

COc1cc(NC(CSc2nnc(-c(cccc3)c3Cl)[nH]2)=O)cc(OC)c1

InChI

InChI=1S/C18H17ClN4O3S/c1-25-12-7-11(8-13(9-12)26-2)20-16(24)10-27-18-21-17(22-23-18)14-5-3-4-6-15(14)19/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22,23)

InChI Key

SZPNPPGZNFWEAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.268

Distribution Coefficient, logD

2.077

Water Solubility, LogSw

-3.69

Polar Surface Area

70.711

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G731-0240 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G731-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0240?
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What is the minimum amount of G731-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0240
  • 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 G731-0240 available by request