C526-0067 Screening compound: (2E)-3-(3-chlorophenyl)-N-(2-{4-[methyl(2-methylcyclohexyl)amino]piperidin-1-yl}-2-oxoethyl)prop-2-enamide

C526-0067 Screening compound: (2E)-3-(3-chlorophenyl)-N-(2-{4-[methyl(2-methylcyclohexyl)amino]piperidin-1-yl}-2-oxoethyl)prop-2-enamide
C526-0067 Screening compound: (2E)-3-(3-chlorophenyl)-N-(2-{4-[methyl(2-methylcyclohexyl)amino]piperidin-1-yl}-2-oxoethyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C526-0067
(2E)-3-(3-chlorophenyl)-N-(2-{4-[methyl(2-methylcyclohexyl)amino]piperidin-1-yl}-2-oxoethyl)prop-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

C526-0067

Molecular Formula

C24H34ClN3O2 (C24 H34 ClN3 O2)

Compound Name

(2E)-3-(3-chlorophenyl)-N-(2-{4-[methyl(2-methylcyclohexyl)amino]piperidin-1-yl}-2-oxoethyl)prop-2-enamide

IUPAC name

(2E)-3-(3-chlorophenyl)-N-(2-{4-[methyl(2-methylcyclohexyl)amino]piperidin-1-yl}-2-oxoethyl)prop-2-enamide

SMILES

CC(CCCC1)C1N(C)C(CC1)CCN1C(CNC(/C=C/c1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C24H34ClN3O2/c1-18-6-3-4-9-22(18)27(2)21-12-14-28(15-13-21)24(30)17-26-23(29)11-10-19-7-5-8-20(25)16-19/h5,7-8,10-11,16,18,21-22H,3-4,6,9,12-15,17H2,1-2H3,(H,26,29)

InChI Key

HFXXTNQBBOELEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14766445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.01

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.504

Distribution Coefficient, logD

1.002

Water Solubility, LogSw

-4.62

Polar Surface Area

41.943

Acid Dissociation Constant (pKa)

13.25

Base Dissociation Constant (pKb)

10.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.30

C526-0067 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C526-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C526-0067?
Check Price and Availability of C526-0067, 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 C526-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C526-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C526-0067
  • 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 C526-0067 available by request