F472-0081 Screening compound: N-(butan-2-yl)-1-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F472-0081 Screening compound: N-(butan-2-yl)-1-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F472-0081 Screening compound: N-(butan-2-yl)-1-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F472-0081
N-(butan-2-yl)-1-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4-propyl-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

F472-0081

Molecular Formula

C27H32N6O3S (C27 H32 N6 O3 S)

Compound Name

N-(butan-2-yl)-1-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

N-(butan-2-yl)-1-({[(4-ethylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-4-propyl-4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CCCN(c(n1-c2c3ccc(C(NC(C)CC)=O)c2)nnc1SCC(Nc1ccc(CC)cc1)=O)C3=O

InChI

InChI=1S/C27H32N6O3S/c1-5-14-32-25(36)21-13-10-19(24(35)28-17(4)6-2)15-22(21)33-26(32)30-31-27(33)37-16-23(34)29-20-11-8-18(7-3)9-12-20/h8-13,15,17H,5-7,14,16H2,1-4H3,(H,28,35)(H,29,34)/t17-/m0/s1

InChI Key

UDBJRHAVADFXEH-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27132565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.102

Distribution Coefficient, logD

4.102

Water Solubility, LogSw

-4.13

Polar Surface Area

86.838

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

F472-0081 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 F472-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F472-0081?
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What is the minimum amount of F472-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F472-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F472-0081
  • 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 F472-0081 available by request