7756-0441 Screening compound: 3-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methyl)phenol

7756-0441 Screening compound: 3-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methyl)phenol
7756-0441 Screening compound: 3-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methyl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7756-0441
3-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methyl)phenol

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

7756-0441

Molecular Formula

C20H24N2O (C20 H24 N2 O)

Compound Name

3-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methyl)phenol

IUPAC name

3-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}methyl)phenol

SMILES

Oc1cc(CN2CCN(C/C=C/c3ccccc3)CC2)ccc1

InChI

InChI=1S/C20H24N2O/c23-20-10-4-8-19(16-20)17-22-14-12-21(13-15-22)11-5-9-18-6-2-1-3-7-18/h1-10,16,23H,11-15,17H2

InChI Key

CSDOAVHXLJZBNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00810738

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

308.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.149

Distribution Coefficient, logD

2.309

Water Solubility, LogSw

-2.77

Polar Surface Area

25.107

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

7756-0441 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 7756-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7756-0441?
Check Price and Availability of 7756-0441, 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 7756-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7756-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7756-0441
  • 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 7756-0441 available by request