G718-1202 Screening compound: 3-chloro-N-(2-{5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-4-methoxybenzene-1-sulfonamide

G718-1202 Screening compound: 3-chloro-N-(2-{5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-4-methoxybenzene-1-sulfonamide
G718-1202 Screening compound: 3-chloro-N-(2-{5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-4-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G718-1202
3-chloro-N-(2-{5-[(3-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}ethyl)-4-methoxybenzene-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

G718-1202

Molecular Formula

C18H18ClFN4O3S (C18 H18 ClFN4 O3 S)

Compound Name

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

IUPAC name

3-chloro-N-(2-{5-[(3-fluorophenyl)methyl]-1H-124-triazol-3-yl}ethyl)-4-methoxybenzene-1-sulfonamide

SMILES

COc(ccc(S(NCCc1n[nH]c(Cc2cc(F)ccc2)n1)(=O)=O)c1)c1Cl

InChI

InChI=1S/C18H18ClFN4O3S/c1-27-16-6-5-14(11-15(16)19)28(25,26)21-8-7-17-22-18(24-23-17)10-12-3-2-4-13(20)9-12/h2-6,9,11,21H,7-8,10H2,1H3,(H,22,23,24)

InChI Key

ZUCWPEHHSTZWLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27153936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.496

Distribution Coefficient, logD

3.494

Water Solubility, LogSw

-3.87

Polar Surface Area

85.235

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G718-1202 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G718-1202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G718-1202?
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What is the minimum amount of G718-1202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G718-1202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G718-1202
  • 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 G718-1202 available by request