P032-3055 Screening compound: N-(3-chlorophenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N-methylacetamide

P032-3055 Screening compound: N-(3-chlorophenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N-methylacetamide
P032-3055 Screening compound: N-(3-chlorophenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P032-3055
N-(3-chlorophenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N-methylacetamide

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

P032-3055

Molecular Formula

C22H20ClN5O3 (C22 H20 ClN5 O3)

Compound Name

N-(3-chlorophenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N-methylacetamide

IUPAC name

N-(3-chlorophenyl)-2-[7-(4-methoxyphenyl)-5-methyl-3-oxo-2H3H-[124]triazolo[43-c]pyrimidin-2-yl]-N-methylacetamide

SMILES

CC(N12)=NC(c(cc3)ccc3OC)=CC2=NN(CC(N(C)c2cccc(Cl)c2)=O)C1=O

InChI

InChI=1S/C22H20ClN5O3/c1-14-24-19(15-7-9-18(31-3)10-8-15)12-20-25-27(22(30)28(14)20)13-21(29)26(2)17-6-4-5-16(23)11-17/h4-12H,13H2,1-3H3

InChI Key

GFMOWCUUCCICDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.192

Distribution Coefficient, logD

3.184

Water Solubility, LogSw

-3.53

Polar Surface Area

63.646

Acid Dissociation Constant (pKa)

16.61

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

P032-3055 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 P032-3055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P032-3055?
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What is the minimum amount of P032-3055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P032-3055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P032-3055
  • 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 P032-3055 available by request