F471-0814 Screening compound: N-cyclohexyl-4-methyl-1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F471-0814 Screening compound: N-cyclohexyl-4-methyl-1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F471-0814 Screening compound: N-cyclohexyl-4-methyl-1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F471-0814
N-cyclohexyl-4-methyl-1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-1H,2H,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

F471-0814

Molecular Formula

C28H30N6O4 (C28 H30 N6 O4)

Compound Name

N-cyclohexyl-4-methyl-1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

N-cyclohexyl-4-methyl-15-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-1H2H4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CN(C(N1c2c3ccc(C(NC4CCCCC4)=O)c2)=NN(Cc(cc2)ccc2N(CCC2)C2=O)C1=O)C3=O

InChI

InChI=1S/C28H30N6O4/c1-31-26(37)22-14-11-19(25(36)29-20-6-3-2-4-7-20)16-23(22)34-27(31)30-33(28(34)38)17-18-9-12-21(13-10-18)32-15-5-8-24(32)35/h9-14,16,20H,2-8,15,17H2,1H3,(H,29,36)

InChI Key

XYGHEFZAXBOCKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.849

Distribution Coefficient, logD

2.849

Water Solubility, LogSw

-3.55

Polar Surface Area

88.928

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

F471-0814 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

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

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F471-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F471-0814?
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What is the minimum amount of F471-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F471-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F471-0814
  • 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 F471-0814 available by request