0083-0029 Screening compound: 2-cyano-N-cyclohexylacetamide

0083-0029 Screening compound: 2-cyano-N-cyclohexylacetamide
0083-0029 Screening compound: 2-cyano-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0083-0029
2-cyano-N-cyclohexylacetamide

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

0083-0029

Molecular Formula

C9H14N2O (C9 H14 N2 O)

Compound Name

2-cyano-N-cyclohexylacetamide

IUPAC name

2-cyano-N-cyclohexylacetamide

SMILES

N#CCC(NC1CCCCC1)=O

InChI

InChI=1S/C9H14N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-6H2,(H,11,12)

InChI Key

RURWLUVLDBYUEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00228093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

166.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.079

Distribution Coefficient, logD

1.075

Water Solubility, LogSw

-1.42

Polar Surface Area

41.927

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.80

0083-0029 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Fragments Library (11262 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 0083-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0083-0029?
Check Price and Availability of 0083-0029, 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 0083-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0083-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0083-0029
  • 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 0083-0029 available by request