V015-7219 Screening compound: {3-[(4-benzylpiperidino)methyl]-4-[3-(trifluoromethyl)phenyl]-1-pyrrolidinyl}(4-fluorophenyl)methanone

V015-7219 Screening compound: {3-[(4-benzylpiperidino)methyl]-4-[3-(trifluoromethyl)phenyl]-1-pyrrolidinyl}(4-fluorophenyl)methanone
V015-7219 Screening compound: {3-[(4-benzylpiperidino)methyl]-4-[3-(trifluoromethyl)phenyl]-1-pyrrolidinyl}(4-fluorophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-7219
{3-[(4-benzylpiperidino)methyl]-4-[3-(trifluoromethyl)phenyl]-1-pyrrolidinyl}(4-fluorophenyl)methanone

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

V015-7219

Molecular Formula

C31H32F4N2O (C31 H32 F4 N2 O)

Compound Name

{3-[(4-benzylpiperidino)methyl]-4-[3-(trifluoromethyl)phenyl]-1-pyrrolidinyl}(4-fluorophenyl)methanone

IUPAC name

4-benzyl-1-{[1-(4-fluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl}piperidine

SMILES

O=C(c(cc1)ccc1F)N(CC1CN2CCC(Cc3ccccc3)CC2)CC1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C31H32F4N2O/c32-28-11-9-24(10-12-28)30(38)37-20-26(29(21-37)25-7-4-8-27(18-25)31(33,34)35)19-36-15-13-23(14-16-36)17-22-5-2-1-3-6-22/h1-12,18,23,26,29H,13-17,19-21H2

InChI Key

QAKRCLCIHNZNCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19922115

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

524.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.795

Distribution Coefficient, logD

4.725

Water Solubility, LogSw

-6.25

Polar Surface Area

20.309

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

9.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.71

V015-7219 in Drug Discovery

Included in Screening Libraries

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

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V015-7219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-7219?
Check Price and Availability of V015-7219, 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 V015-7219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-7219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-7219
  • 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 V015-7219 available by request