F472-0432 Screening compound: 1-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-N,4-bis(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F472-0432 Screening compound: 1-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-N,4-bis(2-methylpropyl)-5-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F472-0432 Screening compound: 1-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-N,4-bis(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 F472-0432
1-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-N,4-bis(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

F472-0432

Molecular Formula

C27H32N6O3S (C27 H32 N6 O3 S)

Compound Name

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

IUPAC name

1-({[(2-methylphenyl)carbamoyl]methyl}sulfanyl)-N4-bis(2-methylpropyl)-5-oxo-4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CC(C)CNC(c(cc1)cc(-n2c(SCC(Nc3c(C)cccc3)=O)nnc2N2CC(C)C)c1C2=O)=O

InChI

InChI=1S/C27H32N6O3S/c1-16(2)13-28-24(35)19-10-11-20-22(12-19)33-26(32(25(20)36)14-17(3)4)30-31-27(33)37-15-23(34)29-21-9-7-6-8-18(21)5/h6-12,16-17H,13-15H2,1-5H3,(H,28,35)(H,29,34)

InChI Key

SZSGXGIUPIAGBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132652

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

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.724

Distribution Coefficient, logD

3.724

Water Solubility, LogSw

-4.00

Polar Surface Area

86.720

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

F472-0432 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F472-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F472-0432?
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What is the minimum amount of F472-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F472-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F472-0432
  • 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 F472-0432 available by request