3966-4506 Screening compound: 1-[4-(2-phenylethynyl)benzoyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine

3966-4506 Screening compound: 1-[4-(2-phenylethynyl)benzoyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
3966-4506 Screening compound: 1-[4-(2-phenylethynyl)benzoyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3966-4506
1-[4-(2-phenylethynyl)benzoyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine

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

3966-4506

Molecular Formula

C28H26N2O (C28 H26 N2 O)

Compound Name

1-[4-(2-phenylethynyl)benzoyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine

IUPAC name

1-[4-(2-phenylethynyl)benzoyl]-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine

SMILES

O=C(c(cc1)ccc1C#Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1

InChI

InChI=1S/C28H26N2O/c31-28(27-17-15-26(16-18-27)14-13-25-10-5-2-6-11-25)30-22-20-29(21-23-30)19-7-12-24-8-3-1-4-9-24/h1-12,15-18H,19-23H2

InChI Key

ADPAYWOVNUNGOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02210798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.728

Distribution Coefficient, logD

5.726

Water Solubility, LogSw

-6.04

Polar Surface Area

20.134

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

3966-4506 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Proline Kinase Library (2105 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3966-4506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-4506?
Check Price and Availability of 3966-4506, 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 3966-4506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-4506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-4506
  • 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 3966-4506 available by request