F472-0328 Screening compound: N-cyclopentyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F472-0328 Screening compound: N-cyclopentyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F472-0328 Screening compound: N-cyclopentyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F472-0328
N-cyclopentyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-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

F472-0328

Molecular Formula

C28H31N5O3S (C28 H31 N5 O3 S)

Compound Name

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

IUPAC name

N-cyclopentyl-1-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CC(C)CN(c(n1-c2c3ccc(C(NC4CCCC4)=O)c2)nnc1SCC(c1ccc(C)cc1)=O)C3=O

InChI

InChI=1S/C28H31N5O3S/c1-17(2)15-32-26(36)22-13-12-20(25(35)29-21-6-4-5-7-21)14-23(22)33-27(32)30-31-28(33)37-16-24(34)19-10-8-18(3)9-11-19/h8-14,17,21H,4-7,15-16H2,1-3H3,(H,29,35)

InChI Key

ZARMRJPPWKHHGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14955434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.772

Distribution Coefficient, logD

4.772

Water Solubility, LogSw

-4.44

Polar Surface Area

77.335

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

F472-0328 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F472-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F472-0328?
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What is the minimum amount of F472-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F472-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F472-0328
  • 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 F472-0328 available by request