F365-0061 Screening compound: 2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(2-methylpropyl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

F365-0061 Screening compound: 2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(2-methylpropyl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
F365-0061 Screening compound: 2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(2-methylpropyl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F365-0061
2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(2-methylpropyl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

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

F365-0061

Molecular Formula

C25H27FN6O3 (C25 H27 FN6 O3)

Compound Name

2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(2-methylpropyl)-1H,2H,4H,5H-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

IUPAC name

2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(2-methylpropyl)-1H2H4H5H-[124]triazolo[43-a]quinazoline-15-dione

SMILES

CC(C)CN(C(N1c2c3cccc2)=NN(CC(N(CC2)CCN2c(cccc2)c2F)=O)C1=O)C3=O

InChI

InChI=1S/C25H27FN6O3/c1-17(2)15-30-23(34)18-7-3-5-9-20(18)32-24(30)27-31(25(32)35)16-22(33)29-13-11-28(12-14-29)21-10-6-4-8-19(21)26/h3-10,17H,11-16H2,1-2H3

InChI Key

XYOSQNKXDHUHDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27119299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.010

Distribution Coefficient, logD

3.010

Water Solubility, LogSw

-3.57

Polar Surface Area

67.559

Acid Dissociation Constant (pKa)

19.28

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

F365-0061 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F365-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F365-0061?
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What is the minimum amount of F365-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F365-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F365-0061
  • 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 F365-0061 available by request