3381-0695 Screening compound: 1-[(4-bromophenyl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine

3381-0695 Screening compound: 1-[(4-bromophenyl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine
3381-0695 Screening compound: 1-[(4-bromophenyl)methyl]-4-{[4-(trifluoromethyl)phenyl]methyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3381-0695
1-[(4-bromophenyl)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

3381-0695

Molecular Formula

C19H20BrF3N2 (C19 H20 BrF3 N2)

Compound Name

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

IUPAC name

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

SMILES

FC(c1ccc(CN2CCN(Cc(cc3)ccc3Br)CC2)cc1)(F)F

InChI

InChI=1S/C19H20BrF3N2/c20-18-7-3-16(4-8-18)14-25-11-9-24(10-12-25)13-15-1-5-17(6-2-15)19(21,22)23/h1-8H,9-14H2

InChI Key

RCKATCQQUOVUCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02040771

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

413.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.650

Distribution Coefficient, logD

4.189

Water Solubility, LogSw

-4.63

Polar Surface Area

7.511

Acid Dissociation Constant (pKa)

28.47

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

3381-0695 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3381-0695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3381-0695?
Check Price and Availability of 3381-0695, 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 3381-0695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3381-0695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3381-0695
  • 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 3381-0695 available by request