G731-0081 Screening compound: N-(4-chlorophenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

G731-0081 Screening compound: N-(4-chlorophenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
G731-0081 Screening compound: N-(4-chlorophenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0081
N-(4-chlorophenyl)-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

G731-0081

Molecular Formula

C16H13ClN4OS (C16 H13 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nnc(-c2ccccc2)[nH]1)Nc(cc1)ccc1Cl

InChI

InChI=1S/C16H13ClN4OS/c17-12-6-8-13(9-7-12)18-14(22)10-23-16-19-15(20-21-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,18,22)(H,19,20,21)

InChI Key

UBKHNLLGHDUNNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02872957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.82

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

3.350

Distribution Coefficient, logD

2.159

Water Solubility, LogSw

-3.93

Polar Surface Area

55.623

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

G731-0081 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G731-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0081?
Check Price and Availability of G731-0081, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G731-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0081
  • 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 G731-0081 available by request