G718-1158 Screening compound: N-(2-{5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2-(trifluoromethyl)benzene-1-sulfonamide

G718-1158 Screening compound: N-(2-{5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2-(trifluoromethyl)benzene-1-sulfonamide
G718-1158 Screening compound: N-(2-{5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2-(trifluoromethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G718-1158
N-(2-{5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-2-(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

G718-1158

Molecular Formula

C18H16F4N4O2S (C18 H16 F4 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=S(c1c(C(F)(F)F)cccc1)(NCCc1n[nH]c(Cc2cc(F)ccc2)n1)=O

InChI

InChI=1S/C18H16F4N4O2S/c19-13-5-3-4-12(10-13)11-17-24-16(25-26-17)8-9-23-29(27,28)15-7-2-1-6-14(15)18(20,21)22/h1-7,10,23H,8-9,11H2,(H,24,25,26)

InChI Key

UGMVYRLNXLFWPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27153918

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.41

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

3.890

Distribution Coefficient, logD

3.888

Water Solubility, LogSw

-4.24

Polar Surface Area

77.604

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G718-1158 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 G718-1158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G718-1158?
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What is the minimum amount of G718-1158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G718-1158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G718-1158
  • 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 G718-1158 available by request