F472-0024 Screening compound: 1-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-N-(propan-2-yl)-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F472-0024 Screening compound: 1-({[(4-methylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-N-(propan-2-yl)-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F472-0024 Screening compound: 1-({[(4-methylphenyl)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 F472-0024
1-({[(4-methylphenyl)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

F472-0024

Molecular Formula

C25H28N6O3S (C25 H28 N6 O3 S)

Compound Name

1-({[(4-methylphenyl)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-methylphenyl)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(Nc1ccc(C)cc1)=O)C3=O

InChI

InChI=1S/C25H28N6O3S/c1-5-12-30-23(34)19-11-8-17(22(33)26-15(2)3)13-20(19)31-24(30)28-29-25(31)35-14-21(32)27-18-9-6-16(4)7-10-18/h6-11,13,15H,5,12,14H2,1-4H3,(H,26,33)(H,27,32)

InChI Key

IVRQFGLNJXJFOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.6

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

3.469

Distribution Coefficient, logD

3.469

Water Solubility, LogSw

-3.78

Polar Surface Area

86.370

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

F472-0024 in Drug Discovery

Included in Screening Libraries

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 F472-0024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F472-0024?
Check Price and Availability of F472-0024, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F472-0024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F472-0024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F472-0024
  • 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 F472-0024 available by request