J084-0844 Screening compound: N,N-diethyl-2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide

J084-0844 Screening compound: N,N-diethyl-2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
J084-0844 Screening compound: N,N-diethyl-2-{[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J084-0844
N,N-diethyl-2-{[5-(4-methylphenyl)-[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

J084-0844

Molecular Formula

C22H23N5OS (C22 H23 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)C(CSc1nnc2n1c(-c1ccc(C)cc1)nc1c2cccc1)=O

InChI

InChI=1S/C22H23N5OS/c1-4-26(5-2)19(28)14-29-22-25-24-21-17-8-6-7-9-18(17)23-20(27(21)22)16-12-10-15(3)11-13-16/h6-13H,4-5,14H2,1-3H3

InChI Key

ORCTULCQQYUXSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27224546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

4.398

Water Solubility, LogSw

-4.25

Polar Surface Area

45.986

Acid Dissociation Constant (pKa)

19.00

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

J084-0844 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 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 J084-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0844?
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What is the minimum amount of J084-0844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0844
  • 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 J084-0844 available by request