5365-0052 Screening compound: (2-methylphenyl)[4-(2-pyridyl)piperazino]methanone

5365-0052 Screening compound: (2-methylphenyl)[4-(2-pyridyl)piperazino]methanone
5365-0052 Screening compound: (2-methylphenyl)[4-(2-pyridyl)piperazino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 5365-0052
(2-methylphenyl)[4-(2-pyridyl)piperazino]methanone

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

5365-0052

Molecular Formula

C17H19N3O (C17 H19 N3 O)

Compound Name

(2-methylphenyl)[4-(2-pyridyl)piperazino]methanone

IUPAC name

1-(2-methylbenzoyl)-4-(pyridin-2-yl)piperazine

SMILES

Cc(cccc1)c1C(N(CC1)CCN1c1ncccc1)=O

InChI

InChI=1S/C17H19N3O/c1-14-6-2-3-7-15(14)17(21)20-12-10-19(11-13-20)16-8-4-5-9-18-16/h2-9H,10-13H2,1H3

InChI Key

KJBLAJPEXZWVRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01241256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.795

Distribution Coefficient, logD

2.787

Water Solubility, LogSw

-3.09

Polar Surface Area

28.658

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

5365-0052 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Structure:
  • Fragments
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 5365-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5365-0052?
Check Price and Availability of 5365-0052, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5365-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5365-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5365-0052
  • 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 5365-0052 available by request