8013-7720 Screening compound: (4-methylphenyl)[2-thioxo[1,2,4]triazolo[1,5-a]pyridin-3(2H)-yl]methanone

8013-7720 Screening compound: (4-methylphenyl)[2-thioxo[1,2,4]triazolo[1,5-a]pyridin-3(2H)-yl]methanone
8013-7720 Screening compound: (4-methylphenyl)[2-thioxo[1,2,4]triazolo[1,5-a]pyridin-3(2H)-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7720
(4-methylphenyl)[2-thioxo[1,2,4]triazolo[1,5-a]pyridin-3(2H)-yl]methanone

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

8013-7720

Molecular Formula

C14H11N3OS (C14 H11 N3 OS)

Compound Name

(4-methylphenyl)[2-thioxo[1,2,4]triazolo[1,5-a]pyridin-3(2H)-yl]methanone

IUPAC name

3-(4-methylbenzoyl)-2H3H-[124]triazolo[15-a]pyridine-2-thione

SMILES

Cc(cc1)ccc1C(N1N(C=CC=C2)C2=NC1=S)=O

InChI

InChI=1S/C14H11N3OS/c1-10-5-7-11(8-6-10)13(18)17-14(19)15-12-4-2-3-9-16(12)17/h2-9H,1H3

InChI Key

WQLGFULGXTXOBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03067334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.136

Distribution Coefficient, logD

0.539

Water Solubility, LogSw

-2.51

Polar Surface Area

29.756

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

8.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

8013-7720 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8013-7720 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7720?
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What is the minimum amount of 8013-7720 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7720
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7720
  • 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 8013-7720 available by request