F471-0771 Screening compound: N-cyclopentyl-2-[(2-fluorophenyl)methyl]-4-methyl-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide

F471-0771 Screening compound: N-cyclopentyl-2-[(2-fluorophenyl)methyl]-4-methyl-1,5-dioxo-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
F471-0771 Screening compound: N-cyclopentyl-2-[(2-fluorophenyl)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 F471-0771
N-cyclopentyl-2-[(2-fluorophenyl)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

F471-0771

Molecular Formula

C23H22FN5O3 (C23 H22 FN5 O3)

Compound Name

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

SMILES

CN(C(N1c2c3ccc(C(NC4CCCC4)=O)c2)=NN(Cc(cccc2)c2F)C1=O)C3=O

InChI

InChI=1S/C23H22FN5O3/c1-27-21(31)17-11-10-14(20(30)25-16-7-3-4-8-16)12-19(17)29-22(27)26-28(23(29)32)13-15-6-2-5-9-18(15)24/h2,5-6,9-12,16H,3-4,7-8,13H2,1H3,(H,25,30)

InChI Key

LIPYKMIKXCMXCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27132371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.876

Distribution Coefficient, logD

2.876

Water Solubility, LogSw

-3.62

Polar Surface Area

72.477

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

F471-0771 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 F471-0771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F471-0771?
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What is the minimum amount of F471-0771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F471-0771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F471-0771
  • 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 F471-0771 available by request