F472-0847 Screening compound: N-cyclopentyl-1-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-4-methyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F472-0847 Screening compound: N-cyclopentyl-1-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-4-methyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F472-0847 Screening compound: N-cyclopentyl-1-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-4-methyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F472-0847
N-cyclopentyl-1-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-4-methyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

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

F472-0847

Molecular Formula

C23H28N6O3S (C23 H28 N6 O3 S)

Compound Name

N-cyclopentyl-1-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-4-methyl-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

N-cyclopentyl-1-{[(cyclopentylcarbamoyl)methyl]sulfanyl}-4-methyl-5-oxo-4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CN(c(n1-c2c3ccc(C(NC4CCCC4)=O)c2)nnc1SCC(NC1CCCC1)=O)C3=O

InChI

InChI=1S/C23H28N6O3S/c1-28-21(32)17-11-10-14(20(31)25-16-8-4-5-9-16)12-18(17)29-22(28)26-27-23(29)33-13-19(30)24-15-6-2-3-7-15/h10-12,15-16H,2-9,13H2,1H3,(H,24,30)(H,25,31)

InChI Key

RJVDVJCNRBZDOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.106

Distribution Coefficient, logD

2.106

Water Solubility, LogSw

-3.12

Polar Surface Area

88.417

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

F472-0847 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F472-0847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F472-0847?
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What is the minimum amount of F472-0847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F472-0847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F472-0847
  • 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 F472-0847 available by request