F472-0542 Screening compound: N-cyclopentyl-4-(3-methylbutyl)-5-oxo-1-[(2-oxo-2-phenylethyl)sulfanyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F472-0542 Screening compound: N-cyclopentyl-4-(3-methylbutyl)-5-oxo-1-[(2-oxo-2-phenylethyl)sulfanyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F472-0542 Screening compound: N-cyclopentyl-4-(3-methylbutyl)-5-oxo-1-[(2-oxo-2-phenylethyl)sulfanyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F472-0542
N-cyclopentyl-4-(3-methylbutyl)-5-oxo-1-[(2-oxo-2-phenylethyl)sulfanyl]-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

F472-0542

Molecular Formula

C28H31N5O3S (C28 H31 N5 O3 S)

Compound Name

N-cyclopentyl-4-(3-methylbutyl)-5-oxo-1-[(2-oxo-2-phenylethyl)sulfanyl]-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

N-cyclopentyl-4-(3-methylbutyl)-5-oxo-1-[(2-oxo-2-phenylethyl)sulfanyl]-4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CC(C)CCN(c(n1-c2c3ccc(C(NC4CCCC4)=O)c2)nnc1SCC(c1ccccc1)=O)C3=O

InChI

InChI=1S/C28H31N5O3S/c1-18(2)14-15-32-26(36)22-13-12-20(25(35)29-21-10-6-7-11-21)16-23(22)33-27(32)30-31-28(33)37-17-24(34)19-8-4-3-5-9-19/h3-5,8-9,12-13,16,18,21H,6-7,10-11,14-15,17H2,1-2H3,(H,29,35)

InChI Key

YHNBBMYVEUPAKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132655

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

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.580

Distribution Coefficient, logD

4.580

Water Solubility, LogSw

-4.23

Polar Surface Area

77.314

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

F472-0542 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 F472-0542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F472-0542?
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What is the minimum amount of F472-0542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F472-0542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F472-0542
  • 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 F472-0542 available by request