4964-2812 Screening compound: 1-[(4-ethylphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine

4964-2812 Screening compound: 1-[(4-ethylphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
4964-2812 Screening compound: 1-[(4-ethylphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-2812
1-[(4-ethylphenyl)methyl]-4-[(3-methoxyphenyl)methyl]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

4964-2812

Molecular Formula

C21H28N2O (C21 H28 N2 O)

Compound Name

1-[(4-ethylphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine

IUPAC name

1-[(4-ethylphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine

SMILES

CCc1ccc(CN2CCN(Cc3cccc(OC)c3)CC2)cc1

InChI

InChI=1S/C21H28N2O/c1-3-18-7-9-19(10-8-18)16-22-11-13-23(14-12-22)17-20-5-4-6-21(15-20)24-2/h4-10,15H,3,11-14,16-17H2,1-2H3

InChI Key

APFIHFHHBZELPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03241717

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

324.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.929

Distribution Coefficient, logD

2.719

Water Solubility, LogSw

-3.96

Polar Surface Area

15.055

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

4964-2812 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 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 4964-2812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-2812?
Check Price and Availability of 4964-2812, 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 4964-2812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-2812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-2812
  • 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 4964-2812 available by request