F472-0299 Screening compound: 1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F472-0299 Screening compound: 1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F472-0299 Screening compound: 1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F472-0299
1-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-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

F472-0299

Molecular Formula

C26H31N5O2S (C26 H31 N5 O2 S)

Compound Name

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

IUPAC name

1-{[(25-dimethylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)-5-oxo-N-(propan-2-yl)-4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CC(C)CN(c(n1-c2c3ccc(C(NC(C)C)=O)c2)nnc1SCc1c(C)ccc(C)c1)C3=O

InChI

InChI=1S/C26H31N5O2S/c1-15(2)13-30-24(33)21-10-9-19(23(32)27-16(3)4)12-22(21)31-25(30)28-29-26(31)34-14-20-11-17(5)7-8-18(20)6/h7-12,15-16H,13-14H2,1-6H3,(H,27,32)

InChI Key

MXNUOIAJQWPGMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.327

Distribution Coefficient, logD

5.327

Water Solubility, LogSw

-5.20

Polar Surface Area

63.243

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

F472-0299 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F472-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F472-0299?
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What is the minimum amount of F472-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F472-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F472-0299
  • 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 F472-0299 available by request