4251-0478 Screening compound: 1-[3-(3-methylphenyl)prop-2-yn-1-yl]piperidine

4251-0478 Screening compound: 1-[3-(3-methylphenyl)prop-2-yn-1-yl]piperidine
4251-0478 Screening compound: 1-[3-(3-methylphenyl)prop-2-yn-1-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4251-0478
1-[3-(3-methylphenyl)prop-2-yn-1-yl]piperidine

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

4251-0478

Molecular Formula

C15H19N (C15 H19 N)

Compound Name

1-[3-(3-methylphenyl)prop-2-yn-1-yl]piperidine

IUPAC name

1-[3-(3-methylphenyl)prop-2-yn-1-yl]piperidine

SMILES

Cc1cccc(C#CCN2CCCCC2)c1

InChI

InChI=1S/C15H19N/c1-14-7-5-8-15(13-14)9-6-12-16-10-3-2-4-11-16/h5,7-8,13H,2-4,10-12H2,1H3

InChI Key

ORIWGNJMNXQFSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00698655

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

213.32

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.629

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-3.66

Polar Surface Area

3.949

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

4251-0478 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4251-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4251-0478?
Check Price and Availability of 4251-0478, 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 4251-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4251-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4251-0478
  • 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 4251-0478 available by request