S056-0217 Screening compound: 4-{4-[(6-ethoxypyridin-3-yl)methyl]piperazine-1-carbonyl}benzonitrile

S056-0217 Screening compound: 4-{4-[(6-ethoxypyridin-3-yl)methyl]piperazine-1-carbonyl}benzonitrile
S056-0217 Screening compound: 4-{4-[(6-ethoxypyridin-3-yl)methyl]piperazine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0217
4-{4-[(6-ethoxypyridin-3-yl)methyl]piperazine-1-carbonyl}benzonitrile

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

S056-0217

Molecular Formula

C20H22N4O2 (C20 H22 N4 O2)

Compound Name

4-{4-[(6-ethoxypyridin-3-yl)methyl]piperazine-1-carbonyl}benzonitrile

IUPAC name

4-{4-[(6-ethoxypyridin-3-yl)methyl]piperazine-1-carbonyl}benzonitrile

SMILES

CCOc1ncc(CN(CC2)CCN2C(c(cc2)ccc2C#N)=O)cc1

InChI

InChI=1S/C20H22N4O2/c1-2-26-19-8-5-17(14-22-19)15-23-9-11-24(12-10-23)20(25)18-6-3-16(13-21)4-7-18/h3-8,14H,2,9-12,15H2,1H3

InChI Key

KLIVDSRTHIBOOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29032371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.868

Distribution Coefficient, logD

1.866

Water Solubility, LogSw

-2.16

Polar Surface Area

53.645

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S056-0217 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S056-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0217?
Check Price and Availability of S056-0217, 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 S056-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0217
  • 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 S056-0217 available by request