0337-0580 Screening compound: 3-[4-(2-cyanoethyl)piperazin-1-yl]propanenitrile

0337-0580 Screening compound: 3-[4-(2-cyanoethyl)piperazin-1-yl]propanenitrile
0337-0580 Screening compound: 3-[4-(2-cyanoethyl)piperazin-1-yl]propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0337-0580
3-[4-(2-cyanoethyl)piperazin-1-yl]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

0337-0580

Molecular Formula

C10H16N4 (C10 H16 N4)

Compound Name

3-[4-(2-cyanoethyl)piperazin-1-yl]propanenitrile

IUPAC name

3-[4-(2-cyanoethyl)piperazin-1-yl]propanenitrile

SMILES

N#CCCN1CCN(CCC#N)CC1

InChI

InChI=1S/C10H16N4/c11-3-1-5-13-7-9-14(10-8-13)6-2-4-12/h1-2,5-10H2

InChI Key

QXQYJEMSNUMUPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00552911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

192.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.739

Distribution Coefficient, logD

-0.741

Water Solubility, LogSw

0.41

Polar Surface Area

42.995

Acid Dissociation Constant (pKa)

22.02

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.00

0337-0580 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0337-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0337-0580?
Check Price and Availability of 0337-0580, 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 0337-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0337-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0337-0580
  • 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 0337-0580 available by request