P123-0222 Screening compound: N-{1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-4-phenylbutanamide

P123-0222 Screening compound: N-{1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-4-phenylbutanamide
P123-0222 Screening compound: N-{1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-4-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P123-0222
N-{1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-4-phenylbutanamide

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

P123-0222

Molecular Formula

C22H28N4O2 (C22 H28 N4 O2)

Compound Name

N-{1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-4-phenylbutanamide

IUPAC name

N-{1-oxo-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-4-phenylbutanamide

SMILES

CC(C(N(CC1)CCN1c1ncccc1)=O)NC(CCCc1ccccc1)=O

InChI

InChI=1S/C22H28N4O2/c1-18(24-21(27)12-7-10-19-8-3-2-4-9-19)22(28)26-16-14-25(15-17-26)20-11-5-6-13-23-20/h2-6,8-9,11,13,18H,7,10,12,14-17H2,1H3,(H,24,27)/t18-/m0/s1

InChI Key

MHBOMEMQGUBQFU-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27565753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.949

Distribution Coefficient, logD

2.941

Water Solubility, LogSw

-3.38

Polar Surface Area

52.293

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

P123-0222 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P123-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P123-0222?
Check Price and Availability of P123-0222, 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 P123-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P123-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P123-0222
  • 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 P123-0222 available by request