5941-4043 Screening compound: 4-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine

5941-4043 Screening compound: 4-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine
5941-4043 Screening compound: 4-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5941-4043
4-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine

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

5941-4043

Molecular Formula

C20H15FN4S (C20 H15 FN4 S)

Compound Name

4-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)pyridine

IUPAC name

4-(5-{[(4-fluorophenyl)methyl]sulfanyl}-4-phenyl-4H-124-triazol-3-yl)pyridine

SMILES

Fc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1

InChI

InChI=1S/C20H15FN4S/c21-17-8-6-15(7-9-17)14-26-20-24-23-19(16-10-12-22-13-11-16)25(20)18-4-2-1-3-5-18/h1-13H,14H2

InChI Key

FSJWMDAJIBYVHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03862124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.771

Distribution Coefficient, logD

3.771

Water Solubility, LogSw

-4.01

Polar Surface Area

34.141

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

5941-4043 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5941-4043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5941-4043?
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What is the minimum amount of 5941-4043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5941-4043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5941-4043
  • 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 5941-4043 available by request