G731-0671 Screening compound: 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

G731-0671 Screening compound: 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
G731-0671 Screening compound: 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G731-0671
2-{[5-(4-methoxyphenyl)-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

G731-0671

Molecular Formula

C18H15F3N4O2S (C18 H15 F3 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c([nH]1)nnc1SCC(Nc1c(C(F)(F)F)cccc1)=O

InChI

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

InChI Key

IDJZXHBPBZANCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04906378

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

3.359

Distribution Coefficient, logD

2.167

Water Solubility, LogSw

-3.79

Polar Surface Area

62.469

Acid Dissociation Constant (pKa)

5.82

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with G731-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G731-0671?
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What is the minimum amount of G731-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G731-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G731-0671
  • 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 G731-0671 available by request