G731-0213 Screening compound: 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

G731-0213 Screening compound: 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
G731-0213 Screening compound: 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0213
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-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

G731-0213

Molecular Formula

C17H15ClN4O2S (C17 H15 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(CSc1nnc(-c(cccc2)c2Cl)[nH]1)=O

InChI

InChI=1S/C17H15ClN4O2S/c1-24-12-8-6-11(7-9-12)19-15(23)10-25-17-20-16(21-22-17)13-4-2-3-5-14(13)18/h2-9H,10H2,1H3,(H,19,23)(H,20,21,22)

InChI Key

VMLZTYNELRKZND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09220012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.112

Distribution Coefficient, logD

1.920

Water Solubility, LogSw

-3.70

Polar Surface Area

63.167

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G731-0213 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G731-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0213?
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What is the minimum amount of G731-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0213
  • 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 G731-0213 available by request