G718-1213 Screening compound: 2-chloro-N-(2-{5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide

G718-1213 Screening compound: 2-chloro-N-(2-{5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide
G718-1213 Screening compound: 2-chloro-N-(2-{5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G718-1213
2-chloro-N-(2-{5-[(3-fluorophenyl)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

G718-1213

Molecular Formula

C17H16ClFN4O2S (C17 H16 ClFN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=S(c(cccc1)c1Cl)(NCCc1n[nH]c(Cc2cc(F)ccc2)n1)=O

InChI

InChI=1S/C17H16ClFN4O2S/c18-14-6-1-2-7-15(14)26(24,25)20-9-8-16-21-17(23-22-16)11-12-4-3-5-13(19)10-12/h1-7,10,20H,8-9,11H2,(H,21,22,23)

InChI Key

UREWIRSXSUFMKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27153939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.430

Distribution Coefficient, logD

3.429

Water Solubility, LogSw

-3.75

Polar Surface Area

77.604

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

G718-1213 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G718-1213 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G718-1213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G718-1213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G718-1213
  • 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 G718-1213 available by request