3702-0388 Screening compound: 1-{[4-(trifluoromethyl)phenyl]methyl}-4-(3,4,5-trimethoxybenzoyl)piperazine

3702-0388 Screening compound: 1-{[4-(trifluoromethyl)phenyl]methyl}-4-(3,4,5-trimethoxybenzoyl)piperazine
3702-0388 Screening compound: 1-{[4-(trifluoromethyl)phenyl]methyl}-4-(3,4,5-trimethoxybenzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3702-0388
1-{[4-(trifluoromethyl)phenyl]methyl}-4-(3,4,5-trimethoxybenzoyl)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

3702-0388

Molecular Formula

C22H25F3N2O4 (C22 H25 F3 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(C(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)=O)cc(OC)c1OC

InChI

InChI=1S/C22H25F3N2O4/c1-29-18-12-16(13-19(30-2)20(18)31-3)21(28)27-10-8-26(9-11-27)14-15-4-6-17(7-5-15)22(23,24)25/h4-7,12-13H,8-11,14H2,1-3H3

InChI Key

BFVVDCGPOOSPOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01825889

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

438.45

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

3.006

Distribution Coefficient, logD

2.955

Water Solubility, LogSw

-3.20

Polar Surface Area

43.405

Acid Dissociation Constant (pKa)

28.54

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

3702-0388 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3702-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3702-0388?
Check Price and Availability of 3702-0388, 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 3702-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3702-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3702-0388
  • 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 3702-0388 available by request