R062-0012 Screening compound: 3-(2-oxocyclohexyl)propanenitrile

R062-0012 Screening compound: 3-(2-oxocyclohexyl)propanenitrile
R062-0012 Screening compound: 3-(2-oxocyclohexyl)propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound R062-0012
3-(2-oxocyclohexyl)propanenitrile

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

R062-0012

Molecular Formula

C9H13NO (C9 H13 NO)

Compound Name

3-(2-oxocyclohexyl)propanenitrile

IUPAC name

3-(2-oxocyclohexyl)propanenitrile

SMILES

N#CCCC(CCCC1)C1=O

InChI

InChI=1S/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8H,1-6H2/t8-/m1/s1

InChI Key

SPTVCXKSSRBTMN-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD00013797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

151.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

0.977

Distribution Coefficient, logD

0.977

Water Solubility, LogSw

-1.01

Polar Surface Area

31.170

Acid Dissociation Constant (pKa)

17.07

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.80

R062-0012 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with R062-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R062-0012?
Check Price and Availability of R062-0012, 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 R062-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R062-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R062-0012
  • 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 R062-0012 available by request