F472-0046 Screening compound: 1-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-oxo-N-(propan-2-yl)-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F472-0046 Screening compound: 1-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-oxo-N-(propan-2-yl)-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F472-0046 Screening compound: 1-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-oxo-N-(propan-2-yl)-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F472-0046
1-({[(4-chlorophenyl)carbamoyl]methyl}sulfanyl)-5-oxo-N-(propan-2-yl)-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

F472-0046

Molecular Formula

C24H25ClN6O3S (C24 H25 ClN6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(c(n1-c2c3ccc(C(NC(C)C)=O)c2)nnc1SCC(Nc(cc1)ccc1Cl)=O)C3=O

InChI

InChI=1S/C24H25ClN6O3S/c1-4-11-30-22(34)18-10-5-15(21(33)26-14(2)3)12-19(18)31-23(30)28-29-24(31)35-13-20(32)27-17-8-6-16(25)7-9-17/h5-10,12,14H,4,11,13H2,1-3H3,(H,26,33)(H,27,32)

InChI Key

DQIVCQXYFIOLNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.640

Distribution Coefficient, logD

3.640

Water Solubility, LogSw

-4.16

Polar Surface Area

86.370

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

F472-0046 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 F472-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F472-0046?
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What is the minimum amount of F472-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F472-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F472-0046
  • 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 F472-0046 available by request