K781-0661 Screening compound: 3-(4-methylpiperidin-1-yl)-3-oxopropanenitrile

K781-0661 Screening compound: 3-(4-methylpiperidin-1-yl)-3-oxopropanenitrile
K781-0661 Screening compound: 3-(4-methylpiperidin-1-yl)-3-oxopropanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0661
3-(4-methylpiperidin-1-yl)-3-oxopropanenitrile

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

K781-0661

Molecular Formula

C9H14N2O (C9 H14 N2 O)

Compound Name

3-(4-methylpiperidin-1-yl)-3-oxopropanenitrile

IUPAC name

3-(4-methylpiperidin-1-yl)-3-oxopropanenitrile

SMILES

CC(CC1)CCN1C(CC#N)=O

InChI

InChI=1S/C9H14N2O/c1-8-3-6-11(7-4-8)9(12)2-5-10/h8H,2-4,6-7H2,1H3

InChI Key

OFLGUADWZSEQEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00117937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

166.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

0.651

Distribution Coefficient, logD

0.642

Water Solubility, LogSw

-0.61

Polar Surface Area

34.123

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.80

K781-0661 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K781-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0661?
Check Price and Availability of K781-0661, 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 K781-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0661
  • 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 K781-0661 available by request