G731-0228 Screening compound: 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide

G731-0228 Screening compound: 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide
G731-0228 Screening compound: 2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0228
2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)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

G731-0228

Molecular Formula

C19H19ClN4OS (C19 H19 ClN4 OS)

Compound Name

2-{[5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide

IUPAC name

2-{[5-(2-chlorophenyl)-4H-124-triazol-3-yl]sulfanyl}-N-(2-ethyl-6-methylphenyl)acetamide

SMILES

CCc(cccc1C)c1NC(CSc1nnc(-c(cccc2)c2Cl)[nH]1)=O

InChI

InChI=1S/C19H19ClN4OS/c1-3-13-8-6-7-12(2)17(13)21-16(25)11-26-19-22-18(23-24-19)14-9-4-5-10-15(14)20/h4-10H,3,11H2,1-2H3,(H,21,25)(H,22,23,24)

InChI Key

RDDYUGAKLOKMRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.798

Distribution Coefficient, logD

2.606

Water Solubility, LogSw

-4.19

Polar Surface Area

54.227

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

G731-0228 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G731-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0228?
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What is the minimum amount of G731-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0228
  • 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 G731-0228 available by request