8019-6166 Screening compound: 5-(pyridin-4-yl)-4-[(pyridin-4-yl)methyl]-4H-1,2,4-triazole-3-thiol

8019-6166 Screening compound: 5-(pyridin-4-yl)-4-[(pyridin-4-yl)methyl]-4H-1,2,4-triazole-3-thiol
8019-6166 Screening compound: 5-(pyridin-4-yl)-4-[(pyridin-4-yl)methyl]-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6166
5-(pyridin-4-yl)-4-[(pyridin-4-yl)methyl]-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

8019-6166

Molecular Formula

C13H11N5S (C13 H11 N5 S)

Compound Name

5-(pyridin-4-yl)-4-[(pyridin-4-yl)methyl]-4H-1,2,4-triazole-3-thiol

IUPAC name

5-(pyridin-4-yl)-4-[(pyridin-4-yl)methyl]-4H-124-triazole-3-thiol

SMILES

Sc1nnc(-c2ccncc2)n1Cc1ccncc1

InChI

InChI=1S/C13H11N5S/c19-13-17-16-12(11-3-7-15-8-4-11)18(13)9-10-1-5-14-6-2-10/h1-8H,9H2,(H,17,19)

InChI Key

AELBEJVMMATELR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09185002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.917

Distribution Coefficient, logD

0.286

Water Solubility, LogSw

-0.84

Polar Surface Area

41.571

Acid Dissociation Constant (pKa)

6.89

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8019-6166 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8019-6166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6166?
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What is the minimum amount of 8019-6166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6166
  • 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 8019-6166 available by request