V002-8952 Screening compound: 4-({[1,1'-biphenyl]-4-yl}methyl)-1-[(3,5-dimethoxyphenyl)methyl]piperidine

V002-8952 Screening compound: 4-({[1,1'-biphenyl]-4-yl}methyl)-1-[(3,5-dimethoxyphenyl)methyl]piperidine
V002-8952 Screening compound: 4-({[1,1'-biphenyl]-4-yl}methyl)-1-[(3,5-dimethoxyphenyl)methyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-8952
4-({[1,1'-biphenyl]-4-yl}methyl)-1-[(3,5-dimethoxyphenyl)methyl]piperidine

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

V002-8952

Molecular Formula

C27H31NO2 (C27 H31 NO2)

Compound Name

4-({[1,1'-biphenyl]-4-yl}methyl)-1-[(3,5-dimethoxyphenyl)methyl]piperidine

IUPAC name

4-({[11'-biphenyl]-4-yl}methyl)-1-[(35-dimethoxyphenyl)methyl]piperidine

SMILES

COc1cc(CN2CCC(Cc(cc3)ccc3-c3ccccc3)CC2)cc(OC)c1

InChI

InChI=1S/C27H31NO2/c1-29-26-17-23(18-27(19-26)30-2)20-28-14-12-22(13-15-28)16-21-8-10-25(11-9-21)24-6-4-3-5-7-24/h3-11,17-19,22H,12-16,20H2,1-2H3

InChI Key

XNFQKYITDDLWQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19951421

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

401.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.518

Distribution Coefficient, logD

2.548

Water Solubility, LogSw

-5.99

Polar Surface Area

18.515

Acid Dissociation Constant (pKa)

25.76

Base Dissociation Constant (pKb)

11.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V002-8952 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V002-8952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-8952?
Check Price and Availability of V002-8952, 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 V002-8952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-8952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-8952
  • 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 V002-8952 available by request