4782-0212 Screening compound: 1-(4-HYDROXY-4,4-DIPHENYLBUT-2-YN-1-YL)-1-PROPYLPIPERIDINIUM

4782-0212 Screening compound: 1-(4-HYDROXY-4,4-DIPHENYLBUT-2-YN-1-YL)-1-PROPYLPIPERIDINIUM
4782-0212 Screening compound: 1-(4-HYDROXY-4,4-DIPHENYLBUT-2-YN-1-YL)-1-PROPYLPIPERIDINIUM alternative view

Chemical Structure Depiction of ChemDiv screening compound 4782-0212
1-(4-HYDROXY-4,4-DIPHENYLBUT-2-YN-1-YL)-1-PROPYLPIPERIDINIUM

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

4782-0212

Molecular Formula

C24H30NO (C24 H30 NO)

Compound Name

1-(4-HYDROXY-4,4-DIPHENYLBUT-2-YN-1-YL)-1-PROPYLPIPERIDINIUM

IUPAC name

11-diphenyl-4-(piperidin-1-yl)but-2-yn-1-ol

SMILES

C(C#CC[N+]1(CCCCC1)CCC)(c1ccccc1)(c1ccccc1)O

InChI

InChI=1S/C21H23NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-9,16-18H2

InChI Key

MGWAMKURIHGGNO-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

348.51

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.722

Distribution Coefficient, logD

4.722

Water Solubility, LogSw

-4.32

Polar Surface Area

16.379

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4782-0212 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 4782-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4782-0212?
Check Price and Availability of 4782-0212, 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 4782-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4782-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4782-0212
  • 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 4782-0212 available by request