F471-0781 Screening compound: N-cyclopentyl-2-[(3-methoxyphenyl)methyl]-4-methyl-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F471-0781 Screening compound: N-cyclopentyl-2-[(3-methoxyphenyl)methyl]-4-methyl-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F471-0781 Screening compound: N-cyclopentyl-2-[(3-methoxyphenyl)methyl]-4-methyl-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F471-0781
N-cyclopentyl-2-[(3-methoxyphenyl)methyl]-4-methyl-1,5-dioxo-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

F471-0781

Molecular Formula

C24H25N5O4 (C24 H25 N5 O4)

Compound Name

N-cyclopentyl-2-[(3-methoxyphenyl)methyl]-4-methyl-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

IUPAC name

N-cyclopentyl-2-[(3-methoxyphenyl)methyl]-4-methyl-15-dioxo-1H2H4H5H-[124]triazolo[43-a]quinazoline-8-carboxamide

SMILES

CN(C(N1c2c3ccc(C(NC4CCCC4)=O)c2)=NN(Cc2cc(OC)ccc2)C1=O)C3=O

InChI

InChI=1S/C24H25N5O4/c1-27-22(31)19-11-10-16(21(30)25-17-7-3-4-8-17)13-20(19)29-23(27)26-28(24(29)32)14-15-6-5-9-18(12-15)33-2/h5-6,9-13,17H,3-4,7-8,14H2,1-2H3,(H,25,30)

InChI Key

OGKYGODAPYROPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.662

Distribution Coefficient, logD

2.662

Water Solubility, LogSw

-3.15

Polar Surface Area

80.021

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F471-0781 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F471-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F471-0781?
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What is the minimum amount of F471-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F471-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F471-0781
  • 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 F471-0781 available by request