F367-0587 Screening compound: N-(2-chloro-4-methylphenyl)-2-({8-chloro-5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide

F367-0587 Screening compound: N-(2-chloro-4-methylphenyl)-2-({8-chloro-5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide
F367-0587 Screening compound: N-(2-chloro-4-methylphenyl)-2-({8-chloro-5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F367-0587
N-(2-chloro-4-methylphenyl)-2-({8-chloro-5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-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

F367-0587

Molecular Formula

C21H19Cl2N5O2S (C21 H19 Cl2 N5 O2 S)

Compound Name

N-(2-chloro-4-methylphenyl)-2-({8-chloro-5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide

IUPAC name

N-(2-chloro-4-methylphenyl)-2-({8-chloro-5-oxo-4-propyl-4H5H-[124]triazolo[43-a]quinazolin-1-yl}sulfanyl)acetamide

SMILES

CCCN(c(n1-c2c3ccc(Cl)c2)nnc1SCC(Nc(ccc(C)c1)c1Cl)=O)C3=O

InChI

InChI=1S/C21H19Cl2N5O2S/c1-3-8-27-19(30)14-6-5-13(22)10-17(14)28-20(27)25-26-21(28)31-11-18(29)24-16-7-4-12(2)9-15(16)23/h4-7,9-10H,3,8,11H2,1-2H3,(H,24,29)

InChI Key

KVDXZGOYSAPQSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27119811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.39

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

4.607

Distribution Coefficient, logD

4.607

Water Solubility, LogSw

-4.68

Polar Surface Area

62.013

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F367-0587 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F367-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F367-0587?
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What is the minimum amount of F367-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F367-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F367-0587
  • 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 F367-0587 available by request