5742-1019 Screening compound: 4-(3-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol

5742-1019 Screening compound: 4-(3-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
5742-1019 Screening compound: 4-(3-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5742-1019
4-(3-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol

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

5742-1019

Molecular Formula

C14H11ClN4S (C14 H11 ClN4 S)

Compound Name

4-(3-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol

IUPAC name

4-(3-chloro-2-methylphenyl)-5-(pyridin-3-yl)-4H-124-triazole-3-thiol

SMILES

Cc(c(-n1c(S)nnc1-c1cnccc1)ccc1)c1Cl

InChI

InChI=1S/C14H11ClN4S/c1-9-11(15)5-2-6-12(9)19-13(17-18-14(19)20)10-4-3-7-16-8-10/h2-8H,1H3,(H,18,20)

InChI Key

IRHGYRVEURMNEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03612909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.842

Distribution Coefficient, logD

0.407

Water Solubility, LogSw

-3.55

Polar Surface Area

32.675

Acid Dissociation Constant (pKa)

5.24

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

5742-1019 in Drug Discovery

Included in Screening Libraries

Human Ion Channels Annotated Library (353 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5742-1019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5742-1019?
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What is the minimum amount of 5742-1019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5742-1019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5742-1019
  • 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 5742-1019 available by request