J084-0863 Screening compound: 2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

J084-0863 Screening compound: 2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
J084-0863 Screening compound: 2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J084-0863
2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

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

J084-0863

Molecular Formula

C21H16N6OS2 (C21 H16 N6 OS2)

Compound Name

2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

IUPAC name

2-{[5-(4-methylphenyl)-[124]triazolo[43-c]quinazolin-3-yl]sulfanyl}-N-(13-thiazol-2-yl)acetamide

SMILES

Cc(cc1)ccc1-c(n12)nc(cccc3)c3c2nnc1SCC(Nc1nccs1)=O

InChI

InChI=1S/C21H16N6OS2/c1-13-6-8-14(9-7-13)18-23-16-5-3-2-4-15(16)19-25-26-21(27(18)19)30-12-17(28)24-20-22-10-11-29-20/h2-11H,12H2,1H3,(H,22,24,28)

InChI Key

PTNDQHOZYZALBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27224548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.449

Distribution Coefficient, logD

4.420

Water Solubility, LogSw

-4.28

Polar Surface Area

63.938

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

J084-0863 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J084-0863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0863?
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What is the minimum amount of J084-0863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0863
  • 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 J084-0863 available by request