F472-0217 Screening compound: 1-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F472-0217 Screening compound: 1-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F472-0217 Screening compound: 1-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-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 F472-0217
1-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-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

F472-0217

Molecular Formula

C26H29N5O4S (C26 H29 N5 O4 S)

Compound Name

1-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-5-oxo-4-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

1-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-5-oxo-4-propyl-4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CCCN(c(n1-c2c3ccc(C(NCC(C)C)=O)c2)nnc1SCC(c(cc1)ccc1OC)=O)C3=O

InChI

InChI=1S/C26H29N5O4S/c1-5-12-30-24(34)20-11-8-18(23(33)27-14-16(2)3)13-21(20)31-25(30)28-29-26(31)36-15-22(32)17-6-9-19(35-4)10-7-17/h6-11,13,16H,5,12,14-15H2,1-4H3,(H,27,33)

InChI Key

QVOBSXNPQLYLME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.586

Distribution Coefficient, logD

3.586

Water Solubility, LogSw

-3.88

Polar Surface Area

85.038

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

F472-0217 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)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with F472-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F472-0217?
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What is the minimum amount of F472-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F472-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F472-0217
  • 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 F472-0217 available by request