8018-6058 Screening compound: bis(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol

8018-6058 Screening compound: bis(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
8018-6058 Screening compound: bis(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6058
bis(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

8018-6058

Molecular Formula

C12H9N5S (C12 H9 N5 S)

Compound Name

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

IUPAC name

bis(pyridin-3-yl)-4H-124-triazole-3-thiol

SMILES

Sc1nnc(-c2cnccc2)n1-c1cnccc1

InChI

InChI=1S/C12H9N5S/c18-12-16-15-11(9-3-1-5-13-7-9)17(12)10-4-2-6-14-8-10/h1-8H,(H,16,18)

InChI Key

TXCJAMNKANWYDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.732

Distribution Coefficient, logD

-0.463

Water Solubility, LogSw

-0.32

Polar Surface Area

42.493

Acid Dissociation Constant (pKa)

6.23

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8018-6058 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-6058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6058?
Check Price and Availability of 8018-6058, 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 8018-6058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6058
  • 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 8018-6058 available by request