P032-1543 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[7-methyl-5-(4-methylphenyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide

P032-1543 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[7-methyl-5-(4-methylphenyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
P032-1543 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[7-methyl-5-(4-methylphenyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P032-1543
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[7-methyl-5-(4-methylphenyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide

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

P032-1543

Molecular Formula

C27H31N5O4 (C27 H31 N5 O4)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[7-methyl-5-(4-methylphenyl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-[7-methyl-5-(4-methylphenyl)-3-oxo-2H3H-[124]triazolo[43-c]pyrimidin-2-yl]acetamide

SMILES

CCOc(ccc(CCNC(CN(C1=O)N=C2N1C(c1ccc(C)cc1)=NC(C)=C2)=O)c1)c1OCC

InChI

InChI=1S/C27H31N5O4/c1-5-35-22-12-9-20(16-23(22)36-6-2)13-14-28-25(33)17-31-27(34)32-24(30-31)15-19(4)29-26(32)21-10-7-18(3)8-11-21/h7-12,15-16H,5-6,13-14,17H2,1-4H3,(H,28,33)

InChI Key

HPOULVPTOCZTED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.839

Distribution Coefficient, logD

2.713

Water Solubility, LogSw

-3.21

Polar Surface Area

80.457

Acid Dissociation Constant (pKa)

15.19

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P032-1543 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with P032-1543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P032-1543?
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What is the minimum amount of P032-1543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P032-1543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P032-1543
  • 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 P032-1543 available by request