V021-5893 Screening compound: N-(4-fluorophenyl)-N-{1-[(3-fluorophenyl)methyl]piperidin-4-yl}-3-methylbenzamide

V021-5893 Screening compound: N-(4-fluorophenyl)-N-{1-[(3-fluorophenyl)methyl]piperidin-4-yl}-3-methylbenzamide
V021-5893 Screening compound: N-(4-fluorophenyl)-N-{1-[(3-fluorophenyl)methyl]piperidin-4-yl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5893
N-(4-fluorophenyl)-N-{1-[(3-fluorophenyl)methyl]piperidin-4-yl}-3-methylbenzamide

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

V021-5893

Molecular Formula

C26H26F2N2O (C26 H26 F2 N2 O)

Compound Name

N-(4-fluorophenyl)-N-{1-[(3-fluorophenyl)methyl]piperidin-4-yl}-3-methylbenzamide

IUPAC name

N-(4-fluorophenyl)-N-{1-[(3-fluorophenyl)methyl]piperidin-4-yl}-3-methylbenzamide

SMILES

Cc1cccc(C(N(C2CCN(Cc3cccc(F)c3)CC2)c(cc2)ccc2F)=O)c1

InChI

InChI=1S/C26H26F2N2O/c1-19-4-2-6-21(16-19)26(31)30(24-10-8-22(27)9-11-24)25-12-14-29(15-13-25)18-20-5-3-7-23(28)17-20/h2-11,16-17,25H,12-15,18H2,1H3

InChI Key

AXSYJXPTNBFTNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19905467

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

420.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.259

Distribution Coefficient, logD

4.792

Water Solubility, LogSw

-5.21

Polar Surface Area

18.483

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

7.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

V021-5893 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 V021-5893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5893?
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What is the minimum amount of V021-5893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5893
  • 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 V021-5893 available by request