3381-0871 Screening compound: 1-{[2-(trifluoromethyl)phenyl]methyl}-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

3381-0871 Screening compound: 1-{[2-(trifluoromethyl)phenyl]methyl}-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
3381-0871 Screening compound: 1-{[2-(trifluoromethyl)phenyl]methyl}-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0871
1-{[2-(trifluoromethyl)phenyl]methyl}-4-[(3,4,5-trimethoxyphenyl)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

3381-0871

Molecular Formula

C22H27F3N2O3 (C22 H27 F3 N2 O3)

Compound Name

1-{[2-(trifluoromethyl)phenyl]methyl}-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine

IUPAC name

1-{[2-(trifluoromethyl)phenyl]methyl}-4-[(345-trimethoxyphenyl)methyl]piperazine

SMILES

COc1cc(CN2CCN(Cc3c(C(F)(F)F)cccc3)CC2)cc(OC)c1OC

InChI

InChI=1S/C22H27F3N2O3/c1-28-19-12-16(13-20(29-2)21(19)30-3)14-26-8-10-27(11-9-26)15-17-6-4-5-7-18(17)22(23,24)25/h4-7,12-13H,8-11,14-15H2,1-3H3

InChI Key

VXKHFXUNWBMNJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01909605

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.540

Distribution Coefficient, logD

1.169

Water Solubility, LogSw

-3.69

Polar Surface Area

30.489

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

9.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

3381-0871 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 compounds)

CNS BBB Library (22607 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system

References: we are preparing a list of scientific research reports with 3381-0871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0871?
Check Price and Availability of 3381-0871, 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 3381-0871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0871
  • 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 3381-0871 available by request