G731-0015 Screening compound: 2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

G731-0015 Screening compound: 2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
G731-0015 Screening compound: 2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0015
2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]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

G731-0015

Molecular Formula

C17H13F3N4OS (C17 H13 F3 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nnc(-c2ccccc2)[nH]1)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C17H13F3N4OS/c18-17(19,20)12-8-4-5-9-13(12)21-14(25)10-26-16-22-15(23-24-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,21,25)(H,22,23,24)

InChI Key

GNMVDAITFXNKTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02872963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.38

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

3.271

Distribution Coefficient, logD

2.080

Water Solubility, LogSw

-3.71

Polar Surface Area

54.925

Acid Dissociation Constant (pKa)

5.51

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G731-0015 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G731-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0015?
Check Price and Availability of G731-0015, 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 G731-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0015
  • 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 G731-0015 available by request