5731-0257 Screening compound: 4-(4-bromophenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

5731-0257 Screening compound: 4-(4-bromophenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
5731-0257 Screening compound: 4-(4-bromophenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5731-0257
4-(4-bromophenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

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

5731-0257

Molecular Formula

C13H9BrN4S (C13 H9 BrN4 S)

Compound Name

4-(4-bromophenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

4-(4-bromophenyl)-3-(pyridin-3-yl)-45-dihydro-1H-124-triazole-5-thione

SMILES

S=C(NN=C1c2cnccc2)N1c(cc1)ccc1Br

InChI

InChI=1S/C13H9BrN4S/c14-10-3-5-11(6-4-10)18-12(16-17-13(18)19)9-2-1-7-15-8-9/h1-8H,(H,17,19)

InChI Key

AZAMYMPZLIXBAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.21

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

3.042

Distribution Coefficient, logD

1.317

Water Solubility, LogSw

-3.01

Polar Surface Area

36.491

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5731-0257 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5731-0257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5731-0257?
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What is the minimum amount of 5731-0257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5731-0257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5731-0257
  • 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 5731-0257 available by request