S056-0071 Screening compound: 1-{4-[(6-methoxypyridin-3-yl)methyl]piperazin-1-yl}-2-(pyridin-3-yl)ethan-1-one

S056-0071 Screening compound: 1-{4-[(6-methoxypyridin-3-yl)methyl]piperazin-1-yl}-2-(pyridin-3-yl)ethan-1-one
S056-0071 Screening compound: 1-{4-[(6-methoxypyridin-3-yl)methyl]piperazin-1-yl}-2-(pyridin-3-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0071
1-{4-[(6-methoxypyridin-3-yl)methyl]piperazin-1-yl}-2-(pyridin-3-yl)ethan-1-one

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

S056-0071

Molecular Formula

C18H22N4O2 (C18 H22 N4 O2)

Compound Name

1-{4-[(6-methoxypyridin-3-yl)methyl]piperazin-1-yl}-2-(pyridin-3-yl)ethan-1-one

IUPAC name

1-{4-[(6-methoxypyridin-3-yl)methyl]piperazin-1-yl}-2-(pyridin-3-yl)ethan-1-one

SMILES

COc1ncc(CN(CC2)CCN2C(Cc2cnccc2)=O)cc1

InChI

InChI=1S/C18H22N4O2/c1-24-17-5-4-16(13-20-17)14-21-7-9-22(10-8-21)18(23)11-15-3-2-6-19-12-15/h2-6,12-13H,7-11,14H2,1H3

InChI Key

BZRAEHRVJJVZON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

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

0.631

Distribution Coefficient, logD

0.623

Water Solubility, LogSw

-0.60

Polar Surface Area

45.999

Acid Dissociation Constant (pKa)

15.34

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

S056-0071 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S056-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0071?
Check Price and Availability of S056-0071, 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 S056-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0071
  • 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 S056-0071 available by request