P032-1016 Screening compound: 2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-(4-methylphenyl)-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

P032-1016 Screening compound: 2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-(4-methylphenyl)-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
P032-1016 Screening compound: 2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-(4-methylphenyl)-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P032-1016
2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-(4-methylphenyl)-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

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

P032-1016

Molecular Formula

C25H25FN6O2 (C25 H25 FN6 O2)

Compound Name

2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-(4-methylphenyl)-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

IUPAC name

2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-methyl-5-(4-methylphenyl)-2H3H-[124]triazolo[43-c]pyrimidin-3-one

SMILES

Cc(cc1)ccc1C(N12)=NC(C)=CC2=NN(CC(N(CC2)CCN2c(cccc2)c2F)=O)C1=O

InChI

InChI=1S/C25H25FN6O2/c1-17-7-9-19(10-8-17)24-27-18(2)15-22-28-31(25(34)32(22)24)16-23(33)30-13-11-29(12-14-30)21-6-4-3-5-20(21)26/h3-10,15H,11-14,16H2,1-2H3

InChI Key

CZTPXZXEAKCNEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.242

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.42

Polar Surface Area

61.076

Acid Dissociation Constant (pKa)

19.16

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

P032-1016 in Drug Discovery

Included in Screening Libraries

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 P032-1016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P032-1016?
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What is the minimum amount of P032-1016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P032-1016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P032-1016
  • 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 P032-1016 available by request