G731-0095 Screening compound: N-[3-(methylsulfanyl)phenyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

G731-0095 Screening compound: N-[3-(methylsulfanyl)phenyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
G731-0095 Screening compound: N-[3-(methylsulfanyl)phenyl]-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0095
N-[3-(methylsulfanyl)phenyl]-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

G731-0095

Molecular Formula

C17H16N4OS2 (C17 H16 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

CSc1cccc(NC(CSc2nnc(-c3ccccc3)[nH]2)=O)c1

InChI

InChI=1S/C17H16N4OS2/c1-23-14-9-5-8-13(10-14)18-15(22)11-24-17-19-16(20-21-17)12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,18,22)(H,19,20,21)

InChI Key

NSCOFYZAWJWWHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.217

Distribution Coefficient, logD

2.025

Water Solubility, LogSw

-3.53

Polar Surface Area

55.623

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G731-0095 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 G731-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0095?
Check Price and Availability of G731-0095, 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 G731-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0095
  • 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 G731-0095 available by request