3381-0581 Screening compound: 1-[(4-methoxyphenyl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine

3381-0581 Screening compound: 1-[(4-methoxyphenyl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine
3381-0581 Screening compound: 1-[(4-methoxyphenyl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0581
1-[(4-methoxyphenyl)methyl]-4-{[4-(trifluoromethyl)phenyl]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

3381-0581

Molecular Formula

C20H23F3N2O (C20 H23 F3 N2 O)

Compound Name

1-[(4-methoxyphenyl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine

IUPAC name

1-[(4-methoxyphenyl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine

SMILES

COc1ccc(CN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1

InChI

InChI=1S/C20H23F3N2O/c1-26-19-8-4-17(5-9-19)15-25-12-10-24(11-13-25)14-16-2-6-18(7-3-16)20(21,22)23/h2-9H,10-15H2,1H3

InChI Key

QCNHHYSOAAGAKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02040730

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

364.41

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

3.798

Distribution Coefficient, logD

3.337

Water Solubility, LogSw

-4.02

Polar Surface Area

15.055

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

3381-0581 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3381-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0581?
Check Price and Availability of 3381-0581, 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 3381-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0581
  • 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 3381-0581 available by request