V020-1342 Screening compound: 2-({3-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)-N~1~-cyclohexylacetamide

V020-1342 Screening compound: 2-({3-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)-N~1~-cyclohexylacetamide
V020-1342 Screening compound: 2-({3-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)-N~1~-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-1342
2-({3-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)-N~1~-cyclohexylacetamide

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

V020-1342

Molecular Formula

C27H28ClN5O3 (C27 H28 ClN5 O3)

Compound Name

2-({3-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-9-yl}oxy)-N~1~-cyclohexylacetamide

IUPAC name

2-({3-[1-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-4-oxo-4H-pyrido[12-a]pyrimidin-9-yl}oxy)-N-cyclohexylacetamide

SMILES

Cc1cc(C2=C(C)N=C(C(OCC(NC3CCCCC3)=O)=CC=C3)N3C2=O)nn1-c1cccc(Cl)c1

InChI

InChI=1S/C27H28ClN5O3/c1-17-14-22(31-33(17)21-11-6-8-19(28)15-21)25-18(2)29-26-23(12-7-13-32(26)27(25)35)36-16-24(34)30-20-9-4-3-5-10-20/h6-8,11-15,20H,3-5,9-10,16H2,1-2H3,(H,30,34)

InChI Key

UDSDBIDEGWXUDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19855661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.061

Distribution Coefficient, logD

4.059

Water Solubility, LogSw

-4.26

Polar Surface Area

69.065

Acid Dissociation Constant (pKa)

15.82

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V020-1342 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V020-1342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-1342?
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What is the minimum amount of V020-1342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-1342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-1342
  • 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 V020-1342 available by request