G731-0764 Screening compound: 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide

G731-0764 Screening compound: 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
G731-0764 Screening compound: 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0764
2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]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

G731-0764

Molecular Formula

C18H18N4O2S2 (C18 H18 N4 O2 S2)

Compound Name

2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-{[5-(4-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

COc(cc1)ccc1-c([nH]1)nnc1SCC(Nc1cc(SC)ccc1)=O

InChI

InChI=1S/C18H18N4O2S2/c1-24-14-8-6-12(7-9-14)17-20-18(22-21-17)26-11-16(23)19-13-4-3-5-15(10-13)25-2/h3-10H,11H2,1-2H3,(H,19,23)(H,20,21,22)

InChI Key

IOGNEACDQUNHHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06632866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

2.112

Water Solubility, LogSw

-3.71

Polar Surface Area

63.167

Acid Dissociation Constant (pKa)

5.82

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G731-0764 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 G731-0764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0764?
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What is the minimum amount of G731-0764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0764
  • 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 G731-0764 available by request