P032-2149 Screening compound: 5-methyl-2-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-7-phenyl-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

P032-2149 Screening compound: 5-methyl-2-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-7-phenyl-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
P032-2149 Screening compound: 5-methyl-2-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-7-phenyl-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P032-2149
5-methyl-2-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-7-phenyl-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

P032-2149

Molecular Formula

C23H21N5O2 (C23 H21 N5 O2)

Compound Name

5-methyl-2-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-7-phenyl-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

IUPAC name

5-methyl-2-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]-7-phenyl-2H3H-[124]triazolo[43-c]pyrimidin-3-one

SMILES

CC(N12)=NC(c3ccccc3)=CC2=NN(CC(N(CCC2)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C23H21N5O2/c1-16-24-19(17-8-3-2-4-9-17)14-21-25-27(23(30)28(16)21)15-22(29)26-13-7-11-18-10-5-6-12-20(18)26/h2-6,8-10,12,14H,7,11,13,15H2,1H3

InChI Key

XPYLKIHIGPKJMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20734968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.007

Distribution Coefficient, logD

2.997

Water Solubility, LogSw

-3.32

Polar Surface Area

56.046

Acid Dissociation Constant (pKa)

17.58

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

P032-2149 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 P032-2149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P032-2149?
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What is the minimum amount of P032-2149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P032-2149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P032-2149
  • 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 P032-2149 available by request