P032-0681 Screening compound: N-(4-butylphenyl)-2-[5-(4-chlorophenyl)-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide

P032-0681 Screening compound: N-(4-butylphenyl)-2-[5-(4-chlorophenyl)-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide
P032-0681 Screening compound: N-(4-butylphenyl)-2-[5-(4-chlorophenyl)-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P032-0681
N-(4-butylphenyl)-2-[5-(4-chlorophenyl)-7-methyl-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

P032-0681

Molecular Formula

C24H24ClN5O2 (C24 H24 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCc(cc1)ccc1NC(CN(C1=O)N=C2N1C(c(cc1)ccc1Cl)=NC(C)=C2)=O

InChI

InChI=1S/C24H24ClN5O2/c1-3-4-5-17-6-12-20(13-7-17)27-22(31)15-29-24(32)30-21(28-29)14-16(2)26-23(30)18-8-10-19(25)11-9-18/h6-14H,3-5,15H2,1-2H3,(H,27,31)

InChI Key

XRWGJPRVSJPUPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.619

Distribution Coefficient, logD

5.601

Water Solubility, LogSw

-5.91

Polar Surface Area

64.873

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P032-0681 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous 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 P032-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P032-0681?
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What is the minimum amount of P032-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P032-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P032-0681
  • 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 P032-0681 available by request