G718-0862 Screening compound: N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide

G718-0862 Screening compound: N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide
G718-0862 Screening compound: N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G718-0862
N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide

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

G718-0862

Molecular Formula

C19H19F3N4O2S (C19 H19 F3 N4 O2 S)

Compound Name

N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide

IUPAC name

N-(2-{5-[(4-methylphenyl)methyl]-1H-124-triazol-3-yl}ethyl)-3-(trifluoromethyl)benzene-1-sulfonamide

SMILES

Cc1ccc(Cc2nc(CCNS(c3cc(C(F)(F)F)ccc3)(=O)=O)n[nH]2)cc1

InChI

InChI=1S/C19H19F3N4O2S/c1-13-5-7-14(8-6-13)11-18-24-17(25-26-18)9-10-23-29(27,28)16-4-2-3-15(12-16)19(20,21)22/h2-8,12,23H,9-11H2,1H3,(H,24,25,26)

InChI Key

YQEFCGDGAFNVKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27153833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.298

Distribution Coefficient, logD

4.297

Water Solubility, LogSw

-4.36

Polar Surface Area

77.604

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

G718-0862 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G718-0862 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G718-0862?
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What is the minimum amount of G718-0862 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G718-0862
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G718-0862
  • 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 G718-0862 available by request