D116-0357 Screening compound: 1-(4-chlorobenzenesulfonyl)-N-[(4-fluorophenyl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine

D116-0357 Screening compound: 1-(4-chlorobenzenesulfonyl)-N-[(4-fluorophenyl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine
D116-0357 Screening compound: 1-(4-chlorobenzenesulfonyl)-N-[(4-fluorophenyl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D116-0357
1-(4-chlorobenzenesulfonyl)-N-[(4-fluorophenyl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine

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

D116-0357

Molecular Formula

C20H15ClFN5O2S (C20 H15 ClFN5 O2 S)

Compound Name

1-(4-chlorobenzenesulfonyl)-N-[(4-fluorophenyl)methyl]-3-(pyridin-3-yl)-1H-1,2,4-triazol-5-amine

IUPAC name

1-(4-chlorobenzenesulfonyl)-N-[(4-fluorophenyl)methyl]-3-(pyridin-3-yl)-1H-124-triazol-5-amine

SMILES

O=S(c(cc1)ccc1Cl)(n1nc(-c2cnccc2)nc1NCc(cc1)ccc1F)=O

InChI

InChI=1S/C20H15ClFN5O2S/c21-16-5-9-18(10-6-16)30(28,29)27-20(24-12-14-3-7-17(22)8-4-14)25-19(26-27)15-2-1-11-23-13-15/h1-11,13H,12H2,(H,24,25,26)

InChI Key

VPRNZHXOCIKVTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.531

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-4.07

Polar Surface Area

71.751

Acid Dissociation Constant (pKa)

16.96

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

D116-0357 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D116-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D116-0357?
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What is the minimum amount of D116-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D116-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D116-0357
  • 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 D116-0357 available by request