S056-0072 Screening compound: 4-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}benzonitrile

S056-0072 Screening compound: 4-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}benzonitrile
S056-0072 Screening compound: 4-{4-[(6-methoxypyridin-3-yl)methyl]piperazine-1-carbonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0072
4-{4-[(6-methoxypyridin-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

S056-0072

Molecular Formula

C19H20N4O2 (C19 H20 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1ncc(CN(CC2)CCN2C(c(cc2)ccc2C#N)=O)cc1

InChI

InChI=1S/C19H20N4O2/c1-25-18-7-4-16(13-21-18)14-22-8-10-23(11-9-22)19(24)17-5-2-15(12-20)3-6-17/h2-7,13H,8-11,14H2,1H3

InChI Key

LCCNRMCLUJLFLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29031553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.294

Distribution Coefficient, logD

1.292

Water Solubility, LogSw

-1.77

Polar Surface Area

54.065

Acid Dissociation Constant (pKa)

26.07

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

S056-0072 in Drug Discovery

Included in Screening Libraries

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 S056-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0072?
Check Price and Availability of S056-0072, 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 S056-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0072
  • 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 S056-0072 available by request