8018-6057 Screening compound: 5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol

8018-6057 Screening compound: 5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
8018-6057 Screening compound: 5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6057
5-(4-chlorophenyl)-4-(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

8018-6057

Molecular Formula

C13H9ClN4S (C13 H9 ClN4 S)

Compound Name

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

IUPAC name

5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-124-triazole-3-thiol

SMILES

Sc1nnc(-c(cc2)ccc2Cl)n1-c1cnccc1

InChI

InChI=1S/C13H9ClN4S/c14-10-5-3-9(4-6-10)12-16-17-13(19)18(12)11-2-1-7-15-8-11/h1-8H,(H,17,19)

InChI Key

VSJUDUFOECZRNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.76

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

2.808

Distribution Coefficient, logD

1.550

Water Solubility, LogSw

-3.33

Polar Surface Area

32.976

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8018-6057 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

BRD4 Targeted Library (4534 compounds)

Dark Chemical Matter Library (18430 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-6057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6057?
Check Price and Availability of 8018-6057, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8018-6057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6057
  • 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 8018-6057 available by request