P120-0568 Screening compound: N-{1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}butanamide

P120-0568 Screening compound: N-{1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}butanamide
P120-0568 Screening compound: N-{1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P120-0568
N-{1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}butanamide

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

P120-0568

Molecular Formula

C22H34N4O3 (C22 H34 N4 O3)

Compound Name

N-{1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2-oxo-1,2-dihydropyridin-3-yl}butanamide

IUPAC name

N-{1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-6-methyl-2-oxo-12-dihydropyridin-3-yl}butanamide

SMILES

CCCC(NC1=CC=C(C)N(CC(N(CC2)CCN2C2CCCCC2)=O)C1=O)=O

InChI

InChI=1S/C22H34N4O3/c1-3-7-20(27)23-19-11-10-17(2)26(22(19)29)16-21(28)25-14-12-24(13-15-25)18-8-5-4-6-9-18/h10-11,18H,3-9,12-16H2,1-2H3,(H,23,27)

InChI Key

YOPPJNQDOZBBJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29019866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.832

Distribution Coefficient, logD

1.661

Water Solubility, LogSw

-2.36

Polar Surface Area

59.026

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.20

P120-0568 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)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with P120-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P120-0568?
Check Price and Availability of P120-0568, 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 P120-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P120-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P120-0568
  • 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 P120-0568 available by request