3381-0182 Screening compound: 2-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one

3381-0182 Screening compound: 2-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one
3381-0182 Screening compound: 2-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0182
2-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one

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

3381-0182

Molecular Formula

C22H28N2O4 (C22 H28 N2 O4)

Compound Name

2-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-phenyl-1-{4-[(345-trimethoxyphenyl)methyl]piperazin-1-yl}ethan-1-one

SMILES

COc1cc(CN(CC2)CCN2C(Cc2ccccc2)=O)cc(OC)c1OC

InChI

InChI=1S/C22H28N2O4/c1-26-19-13-18(14-20(27-2)22(19)28-3)16-23-9-11-24(12-10-23)21(25)15-17-7-5-4-6-8-17/h4-8,13-14H,9-12,15-16H2,1-3H3

InChI Key

XYZNWSMBZJDQBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01540641

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.359

Distribution Coefficient, logD

0.865

Water Solubility, LogSw

-2.89

Polar Surface Area

42.878

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

3381-0182 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3381-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0182?
Check Price and Availability of 3381-0182, 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 3381-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0182
  • 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 3381-0182 available by request