F471-0907 Screening compound: N-(butan-2-yl)-1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-4-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F471-0907 Screening compound: N-(butan-2-yl)-1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-4-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F471-0907 Screening compound: N-(butan-2-yl)-1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-4-(propan-2-yl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F471-0907
N-(butan-2-yl)-1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-4-(propan-2-yl)-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

F471-0907

Molecular Formula

C28H32N6O4 (C28 H32 N6 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)NC(c(cc1)cc(N2C(N3C(C)C)=NN(Cc(cc4)ccc4N(CCC4)C4=O)C2=O)c1C3=O)=O

InChI

InChI=1S/C28H32N6O4/c1-5-18(4)29-25(36)20-10-13-22-23(15-20)34-27(33(17(2)3)26(22)37)30-32(28(34)38)16-19-8-11-21(12-9-19)31-14-6-7-24(31)35/h8-13,15,17-18H,5-7,14,16H2,1-4H3,(H,29,36)/t18-/m0/s1

InChI Key

IRVUDLGXZOQYOM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27132459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.811

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.43

Polar Surface Area

88.870

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

F471-0907 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F471-0907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F471-0907?
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What is the minimum amount of F471-0907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F471-0907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F471-0907
  • 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 F471-0907 available by request