G731-0672 Screening compound: 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide

G731-0672 Screening compound: 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
G731-0672 Screening compound: 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0672
2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(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

G731-0672

Molecular Formula

C18H15F3N4O2S (C18 H15 F3 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c([nH]1)nnc1SCC(Nc1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C18H15F3N4O2S/c1-27-14-7-5-11(6-8-14)16-23-17(25-24-16)28-10-15(26)22-13-4-2-3-12(9-13)18(19,20)21/h2-9H,10H2,1H3,(H,22,26)(H,23,24,25)

InChI Key

DPQRXBQKWJFPJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04888122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

2.695

Water Solubility, LogSw

-4.10

Polar Surface Area

63.167

Acid Dissociation Constant (pKa)

5.82

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G731-0672 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 G731-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0672?
Check Price and Availability of G731-0672, 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 G731-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0672
  • 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 G731-0672 available by request