K216-0605 Screening compound: (2Z)-N-cyclohexyl-2-(cyclohexylimino)-2-(2-acetamidophenyl)acetamide

K216-0605 Screening compound: (2Z)-N-cyclohexyl-2-(cyclohexylimino)-2-(2-acetamidophenyl)acetamide
K216-0605 Screening compound: (2Z)-N-cyclohexyl-2-(cyclohexylimino)-2-(2-acetamidophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-0605
(2Z)-N-cyclohexyl-2-(cyclohexylimino)-2-(2-acetamidophenyl)acetamide

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

K216-0605

Molecular Formula

C22H31N3O2 (C22 H31 N3 O2)

Compound Name

(2Z)-N-cyclohexyl-2-(cyclohexylimino)-2-(2-acetamidophenyl)acetamide

IUPAC name

(2Z)-N-cyclohexyl-2-(cyclohexylimino)-2-(2-acetamidophenyl)acetamide

SMILES

CC(Nc(cccc1)c1/C(/C(NC1CCCCC1)=O)=N/C1CCCCC1)=O

InChI

InChI=1S/C22H31N3O2/c1-16(26)23-20-15-9-8-14-19(20)21(24-17-10-4-2-5-11-17)22(27)25-18-12-6-3-7-13-18/h8-9,14-15,17-18H,2-7,10-13H2,1H3,(H,23,26)(H,25,27)

InChI Key

WFYAUWXXLPFUBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02935096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.917

Distribution Coefficient, logD

3.916

Water Solubility, LogSw

-3.99

Polar Surface Area

55.676

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.10

K216-0605 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K216-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-0605?
Check Price and Availability of K216-0605, 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 K216-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-0605
  • 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 K216-0605 available by request