5607-0213 Screening compound: 1-phenyl-4-(1-{[2-(trifluoromethyl)phenyl]methyl}piperidin-4-yl)piperazine

5607-0213 Screening compound: 1-phenyl-4-(1-{[2-(trifluoromethyl)phenyl]methyl}piperidin-4-yl)piperazine
5607-0213 Screening compound: 1-phenyl-4-(1-{[2-(trifluoromethyl)phenyl]methyl}piperidin-4-yl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5607-0213
1-phenyl-4-(1-{[2-(trifluoromethyl)phenyl]methyl}piperidin-4-yl)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

5607-0213

Molecular Formula

C23H28F3N3 (C23 H28 F3 N3)

Compound Name

1-phenyl-4-(1-{[2-(trifluoromethyl)phenyl]methyl}piperidin-4-yl)piperazine

IUPAC name

1-phenyl-4-(1-{[2-(trifluoromethyl)phenyl]methyl}piperidin-4-yl)piperazine

SMILES

FC(c1c(CN(CC2)CCC2N(CC2)CCN2c2ccccc2)cccc1)(F)F

InChI

InChI=1S/C23H28F3N3/c24-23(25,26)22-9-5-4-6-19(22)18-27-12-10-21(11-13-27)29-16-14-28(15-17-29)20-7-2-1-3-8-20/h1-9,21H,10-18H2

InChI Key

LFGXKMLGEYQBOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03304123

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

403.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.737

Distribution Coefficient, logD

4.467

Water Solubility, LogSw

-4.76

Polar Surface Area

10.325

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

7.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

5607-0213 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 5607-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5607-0213?
Check Price and Availability of 5607-0213, 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 5607-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5607-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5607-0213
  • 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 5607-0213 available by request