J084-0819 Screening compound: 7-chloro-2-({[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one

J084-0819 Screening compound: 7-chloro-2-({[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
J084-0819 Screening compound: 7-chloro-2-({[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J084-0819
7-chloro-2-({[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one

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

J084-0819

Molecular Formula

C25H17ClN6OS (C25 H17 ClN6 OS)

Compound Name

7-chloro-2-({[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one

IUPAC name

7-chloro-2-({[5-(4-methylphenyl)-[124]triazolo[43-c]quinazolin-3-yl]sulfanyl}methyl)-4H-pyrido[12-a]pyrimidin-4-one

SMILES

Cc(cc1)ccc1-c(n12)nc(cccc3)c3c2nnc1SCC(N=C(C=C1)N2C=C1Cl)=CC2=O

InChI

InChI=1S/C25H17ClN6OS/c1-15-6-8-16(9-7-15)23-28-20-5-3-2-4-19(20)24-29-30-25(32(23)24)34-14-18-12-22(33)31-13-17(26)10-11-21(31)27-18/h2-13H,14H2,1H3

InChI Key

LHZUHOBTAMZSQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27224541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.575

Distribution Coefficient, logD

4.546

Water Solubility, LogSw

-4.71

Polar Surface Area

56.816

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

J084-0819 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J084-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0819?
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What is the minimum amount of J084-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0819
  • 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 J084-0819 available by request