8012-5981 Screening compound: 4-(2-methylphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol

8012-5981 Screening compound: 4-(2-methylphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol
8012-5981 Screening compound: 4-(2-methylphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5981
4-(2-methylphenyl)-5-(quinolin-2-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

8012-5981

Molecular Formula

C18H14N4S (C18 H14 N4 S)

Compound Name

4-(2-methylphenyl)-5-(quinolin-2-yl)-4H-1,2,4-triazole-3-thiol

IUPAC name

4-(2-methylphenyl)-5-(quinolin-2-yl)-4H-124-triazole-3-thiol

SMILES

Cc(cccc1)c1-n1c(S)nnc1-c1nc2ccccc2cc1

InChI

InChI=1S/C18H14N4S/c1-12-6-2-5-9-16(12)22-17(20-21-18(22)23)15-11-10-13-7-3-4-8-14(13)19-15/h2-11H,1H3,(H,21,23)

InChI Key

MOXHKAYPCUIFIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02854439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.4

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

3.925

Distribution Coefficient, logD

1.785

Water Solubility, LogSw

-4.27

Polar Surface Area

31.488

Acid Dissociation Constant (pKa)

5.26

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

8012-5981 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-5981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5981?
Check Price and Availability of 8012-5981, 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 8012-5981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5981
  • 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 8012-5981 available by request