J084-0785 Screening compound: 3-[({imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline

J084-0785 Screening compound: 3-[({imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline
J084-0785 Screening compound: 3-[({imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound J084-0785
3-[({imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline

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

J084-0785

Molecular Formula

C24H18N6S (C24 H18 N6 S)

Compound Name

3-[({imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]-5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline

IUPAC name

3-[({imidazo[12-a]pyridin-2-yl}methyl)sulfanyl]-5-(4-methylphenyl)-[124]triazolo[43-c]quinazoline

SMILES

Cc(cc1)ccc1-c(n12)nc(cccc3)c3c2nnc1SCc1cn(cccc2)c2n1

InChI

InChI=1S/C24H18N6S/c1-16-9-11-17(12-10-16)22-26-20-7-3-2-6-19(20)23-27-28-24(30(22)23)31-15-18-14-29-13-5-4-8-21(29)25-18/h2-14H,15H2,1H3

InChI Key

YERAWLBPVTWTMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.282

Distribution Coefficient, logD

5.214

Water Solubility, LogSw

-5.39

Polar Surface Area

40.472

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

J084-0785 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous 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 J084-0785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0785?
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What is the minimum amount of J084-0785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0785
  • 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 J084-0785 available by request