P123-0827 Screening compound: (2E)-N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-3-phenylprop-2-enamide

P123-0827 Screening compound: (2E)-N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-3-phenylprop-2-enamide
P123-0827 Screening compound: (2E)-N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P123-0827
(2E)-N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-3-phenylprop-2-enamide

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

P123-0827

Molecular Formula

C27H28N4O2 (C27 H28 N4 O2)

Compound Name

(2E)-N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-3-phenylprop-2-enamide

IUPAC name

(2E)-N-{1-oxo-3-phenyl-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-2-yl}-3-phenylprop-2-enamide

SMILES

O=C(C(Cc1ccccc1)NC(/C=C/c1ccccc1)=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C27H28N4O2/c32-26(15-14-22-9-3-1-4-10-22)29-24(21-23-11-5-2-6-12-23)27(33)31-19-17-30(18-20-31)25-13-7-8-16-28-25/h1-16,24H,17-21H2,(H,29,32)/t24-/m0/s1

InChI Key

OFSXIHHGHFJHNS-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27565800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.55

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

4.143

Distribution Coefficient, logD

4.135

Water Solubility, LogSw

-4.24

Polar Surface Area

52.489

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

P123-0827 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with P123-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P123-0827?
Check Price and Availability of P123-0827, 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 P123-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P123-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P123-0827
  • 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 P123-0827 available by request