J084-0595 Screening compound: N-ethyl-2-{[5-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide

J084-0595 Screening compound: N-ethyl-2-{[5-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
J084-0595 Screening compound: N-ethyl-2-{[5-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J084-0595
N-ethyl-2-{[5-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}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

J084-0595

Molecular Formula

C20H19N5O2S (C20 H19 N5 O2 S)

Compound Name

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

IUPAC name

N-ethyl-2-{[5-(3-methoxyphenyl)-[124]triazolo[43-c]quinazolin-3-yl]sulfanyl}acetamide

SMILES

CCNC(CSc1nnc2n1c(-c1cc(OC)ccc1)nc1c2cccc1)=O

InChI

InChI=1S/C20H19N5O2S/c1-3-21-17(26)12-28-20-24-23-19-15-9-4-5-10-16(15)22-18(25(19)20)13-7-6-8-14(11-13)27-2/h4-11H,3,12H2,1-2H3,(H,21,26)

InChI Key

DUWBLJOINFTQMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27224517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

3.074

Water Solubility, LogSw

-3.48

Polar Surface Area

62.223

Acid Dissociation Constant (pKa)

15.42

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J084-0595 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J084-0595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0595?
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What is the minimum amount of J084-0595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0595
  • 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 J084-0595 available by request