F367-0702 Screening compound: N-(2,5-difluorophenyl)-2-{[7-fluoro-4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide

F367-0702 Screening compound: N-(2,5-difluorophenyl)-2-{[7-fluoro-4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide
F367-0702 Screening compound: N-(2,5-difluorophenyl)-2-{[7-fluoro-4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F367-0702
N-(2,5-difluorophenyl)-2-{[7-fluoro-4-(2-methylpropyl)-5-oxo-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

F367-0702

Molecular Formula

C21H18F3N5O2S (C21 H18 F3 N5 O2 S)

Compound Name

N-(2,5-difluorophenyl)-2-{[7-fluoro-4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl}acetamide

IUPAC name

N-(25-difluorophenyl)-2-{[7-fluoro-4-(2-methylpropyl)-5-oxo-4H5H-[124]triazolo[43-a]quinazolin-1-yl]sulfanyl}acetamide

SMILES

CC(C)CN(c(n1-c(cc2)c3cc2F)nnc1SCC(Nc(cc(cc1)F)c1F)=O)C3=O

InChI

InChI=1S/C21H18F3N5O2S/c1-11(2)9-28-19(31)14-7-12(22)4-6-17(14)29-20(28)26-27-21(29)32-10-18(30)25-16-8-13(23)3-5-15(16)24/h3-8,11H,9-10H2,1-2H3,(H,25,30)

InChI Key

BLJTUPSOERNEKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27119872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.47

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

4.154

Distribution Coefficient, logD

4.146

Water Solubility, LogSw

-4.22

Polar Surface Area

62.035

Acid Dissociation Constant (pKa)

9.13

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F367-0702 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F367-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F367-0702?
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What is the minimum amount of F367-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F367-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F367-0702
  • 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 F367-0702 available by request