D345-0053 Screening compound: 1-(naphthalene-1-carbonyl)-4-[2-(pyridin-2-yl)ethyl]piperazine

D345-0053 Screening compound: 1-(naphthalene-1-carbonyl)-4-[2-(pyridin-2-yl)ethyl]piperazine
D345-0053 Screening compound: 1-(naphthalene-1-carbonyl)-4-[2-(pyridin-2-yl)ethyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0053
1-(naphthalene-1-carbonyl)-4-[2-(pyridin-2-yl)ethyl]piperazine

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

D345-0053

Molecular Formula

C22H23N3O (C22 H23 N3 O)

Compound Name

1-(naphthalene-1-carbonyl)-4-[2-(pyridin-2-yl)ethyl]piperazine

IUPAC name

1-(naphthalene-1-carbonyl)-4-[2-(pyridin-2-yl)ethyl]piperazine

SMILES

O=C(c1cccc2ccccc12)N1CCN(CCc2ncccc2)CC1

InChI

InChI=1S/C22H23N3O/c26-22(21-10-5-7-18-6-1-2-9-20(18)21)25-16-14-24(15-17-25)13-11-19-8-3-4-12-23-19/h1-10,12H,11,13-17H2

InChI Key

LGYODTXAANCAKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07454504

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

345.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.753

Distribution Coefficient, logD

2.733

Water Solubility, LogSw

-3.23

Polar Surface Area

29.677

Acid Dissociation Constant (pKa)

27.72

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D345-0053 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D345-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0053?
Check Price and Availability of D345-0053, 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 D345-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0053
  • 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 D345-0053 available by request