G718-0901 Screening compound: 4-cyclohexyl-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide

G718-0901 Screening compound: 4-cyclohexyl-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide
G718-0901 Screening compound: 4-cyclohexyl-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G718-0901
4-cyclohexyl-N-(2-{5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)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

G718-0901

Molecular Formula

C24H30N4O2S (C24 H30 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(Cc2nc(CCNS(c3ccc(C4CCCCC4)cc3)(=O)=O)n[nH]2)cc1

InChI

InChI=1S/C24H30N4O2S/c1-18-7-9-19(10-8-18)17-24-26-23(27-28-24)15-16-25-31(29,30)22-13-11-21(12-14-22)20-5-3-2-4-6-20/h7-14,20,25H,2-6,15-17H2,1H3,(H,26,27,28)

InChI Key

CUDDJXBINZQJPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27153849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.59

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

5.915

Distribution Coefficient, logD

5.913

Water Solubility, LogSw

-5.36

Polar Surface Area

77.525

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

G718-0901 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with G718-0901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G718-0901?
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What is the minimum amount of G718-0901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G718-0901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G718-0901
  • 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 G718-0901 available by request