P032-1170 Screening compound: 2-[5-(4-chlorophenyl)-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N,N-dipropylacetamide

P032-1170 Screening compound: 2-[5-(4-chlorophenyl)-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N,N-dipropylacetamide
P032-1170 Screening compound: 2-[5-(4-chlorophenyl)-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N,N-dipropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P032-1170
2-[5-(4-chlorophenyl)-7-methyl-3-oxo-2H,3H-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl]-N,N-dipropylacetamide

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

P032-1170

Molecular Formula

C20H24ClN5O2 (C20 H24 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCN(CCC)C(CN(C1=O)N=C2N1C(c(cc1)ccc1Cl)=NC(C)=C2)=O

InChI

InChI=1S/C20H24ClN5O2/c1-4-10-24(11-5-2)18(27)13-25-20(28)26-17(23-25)12-14(3)22-19(26)15-6-8-16(21)9-7-15/h6-9,12H,4-5,10-11,13H2,1-3H3

InChI Key

ILCFXCWYHWZMDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27559226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.378

Distribution Coefficient, logD

3.360

Water Solubility, LogSw

-3.76

Polar Surface Area

57.907

Acid Dissociation Constant (pKa)

19.16

Base Dissociation Constant (pKb)

6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

P032-1170 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 P032-1170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P032-1170?
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What is the minimum amount of P032-1170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P032-1170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P032-1170
  • 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 P032-1170 available by request