C526-0907 Screening compound: (E)-3-(2,6-dichlorophenyl)-N-(2-{4-[methyl(2-methylcyclohexyl)amino]piperidino}-2-oxoethyl)-2-propenamide

C526-0907 Screening compound: (E)-3-(2,6-dichlorophenyl)-N-(2-{4-[methyl(2-methylcyclohexyl)amino]piperidino}-2-oxoethyl)-2-propenamide
C526-0907 Screening compound: (E)-3-(2,6-dichlorophenyl)-N-(2-{4-[methyl(2-methylcyclohexyl)amino]piperidino}-2-oxoethyl)-2-propenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C526-0907
(E)-3-(2,6-dichlorophenyl)-N-(2-{4-[methyl(2-methylcyclohexyl)amino]piperidino}-2-oxoethyl)-2-propenamide

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

C526-0907

Molecular Formula

C24H33Cl2N3O2 (C24 H33 Cl2 N3 O2)

Compound Name

(E)-3-(2,6-dichlorophenyl)-N-(2-{4-[methyl(2-methylcyclohexyl)amino]piperidino}-2-oxoethyl)-2-propenamide

IUPAC name

(2E)-3-(26-dichlorophenyl)-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/c(c(Cl)ccc1)c1Cl)=O)=O

InChI

InChI=1S/C24H33Cl2N3O2/c1-17-6-3-4-9-22(17)28(2)18-12-14-29(15-13-18)24(31)16-27-23(30)11-10-19-20(25)7-5-8-21(19)26/h5,7-8,10-11,17-18,22H,3-4,6,9,12-16H2,1-2H3,(H,27,30)

InChI Key

CXRHZOAHPAZNFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14766454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.45

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

4.160

Distribution Coefficient, logD

0.658

Water Solubility, LogSw

-4.23

Polar Surface Area

41.943

Acid Dissociation Constant (pKa)

11.37

Base Dissociation Constant (pKb)

10.90

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.33

C526-0907 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C526-0907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C526-0907?
Check Price and Availability of C526-0907, 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 C526-0907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C526-0907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C526-0907
  • 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 C526-0907 available by request