K822-0045 Screening compound: 4-(4-methylphenyl)-5-(3-pyridyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

K822-0045 Screening compound: 4-(4-methylphenyl)-5-(3-pyridyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
K822-0045 Screening compound: 4-(4-methylphenyl)-5-(3-pyridyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound K822-0045
4-(4-methylphenyl)-5-(3-pyridyl)-2,4-dihydro-3H-1,2,4-triazole-3-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

K822-0045

Molecular Formula

C14H12N4S (C14 H12 N4 S)

Compound Name

4-(4-methylphenyl)-5-(3-pyridyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

IUPAC name

n/a

SMILES

Cc(cc1)ccc1N(C(c1cnccc1)=NN1)C1=S

InChI

InChI=1S/C14H12N4S/c1-10-4-6-12(7-5-10)18-13(16-17-14(18)19)11-3-2-8-15-9-11/h2-9H,1H3,(H,17,19)

InChI Key

FYKGJIBBBUBMFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02938954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.34

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

2.631

Distribution Coefficient, logD

0.906

Water Solubility, LogSw

-2.39

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

7.14

K822-0045 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with K822-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K822-0045?
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What is the minimum amount of K822-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K822-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K822-0045
  • 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 K822-0045 available by request