S056-0084 Screening compound: 1-{4-[(6-methoxypyridin-3-yl)methyl]piperazin-1-yl}-3-phenylpropan-1-one

S056-0084 Screening compound: 1-{4-[(6-methoxypyridin-3-yl)methyl]piperazin-1-yl}-3-phenylpropan-1-one
S056-0084 Screening compound: 1-{4-[(6-methoxypyridin-3-yl)methyl]piperazin-1-yl}-3-phenylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S056-0084
1-{4-[(6-methoxypyridin-3-yl)methyl]piperazin-1-yl}-3-phenylpropan-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

S056-0084

Molecular Formula

C20H25N3O2 (C20 H25 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1ncc(CN(CC2)CCN2C(CCc2ccccc2)=O)cc1

InChI

InChI=1S/C20H25N3O2/c1-25-19-9-7-18(15-21-19)16-22-11-13-23(14-12-22)20(24)10-8-17-5-3-2-4-6-17/h2-7,9,15H,8,10-14,16H2,1H3

InChI Key

MNUZCHJMJBDZMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29030639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.227

Distribution Coefficient, logD

2.223

Water Solubility, LogSw

-2.10

Polar Surface Area

36.481

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

S056-0084 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with S056-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S056-0084?
Check Price and Availability of S056-0084, 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 S056-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S056-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S056-0084
  • 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 S056-0084 available by request