J084-0365 Screening compound: N-(3-fluorophenyl)-2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide

J084-0365 Screening compound: N-(3-fluorophenyl)-2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
J084-0365 Screening compound: N-(3-fluorophenyl)-2-{[5-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J084-0365
N-(3-fluorophenyl)-2-{[5-(4-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

J084-0365

Molecular Formula

C24H18FN5O2S (C24 H18 FN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c(n12)nc(cccc3)c3c2nnc1SCC(Nc1cc(F)ccc1)=O

InChI

InChI=1S/C24H18FN5O2S/c1-32-18-11-9-15(10-12-18)22-27-20-8-3-2-7-19(20)23-28-29-24(30(22)23)33-14-21(31)26-17-6-4-5-16(25)13-17/h2-13H,14H2,1H3,(H,26,31)

InChI Key

ZJOAUHIOHMPLDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27224479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.5

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

4.996

Distribution Coefficient, logD

4.993

Water Solubility, LogSw

-4.93

Polar Surface Area

61.003

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

J084-0365 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 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
  • 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 J084-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J084-0365?
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What is the minimum amount of J084-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J084-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J084-0365
  • 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 J084-0365 available by request