G731-0077 Screening compound: N-(2,6-dimethylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

G731-0077 Screening compound: N-(2,6-dimethylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
G731-0077 Screening compound: N-(2,6-dimethylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0077
N-(2,6-dimethylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]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

G731-0077

Molecular Formula

C18H18N4OS (C18 H18 N4 OS)

Compound Name

N-(2,6-dimethylphenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

IUPAC name

N-(26-dimethylphenyl)-2-[(5-phenyl-4H-124-triazol-3-yl)sulfanyl]acetamide

SMILES

Cc1cccc(C)c1NC(CSc1nnc(-c2ccccc2)[nH]1)=O

InChI

InChI=1S/C18H18N4OS/c1-12-7-6-8-13(2)16(12)19-15(23)11-24-18-20-17(21-22-18)14-9-4-3-5-10-14/h3-10H,11H2,1-2H3,(H,19,23)(H,20,21,22)

InChI Key

ZEPYXRBOBRXFBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02872940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.940

Distribution Coefficient, logD

1.749

Water Solubility, LogSw

-3.05

Polar Surface Area

54.227

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G731-0077 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G731-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0077?
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What is the minimum amount of G731-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0077
  • 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 G731-0077 available by request