V013-5591 Screening compound: N~1~-[1-(2,4-difluorobenzyl)-4-piperidyl]-3-methyl-N~1~-phenylbutanamide

V013-5591 Screening compound: N~1~-[1-(2,4-difluorobenzyl)-4-piperidyl]-3-methyl-N~1~-phenylbutanamide
V013-5591 Screening compound: N~1~-[1-(2,4-difluorobenzyl)-4-piperidyl]-3-methyl-N~1~-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5591
N~1~-[1-(2,4-difluorobenzyl)-4-piperidyl]-3-methyl-N~1~-phenylbutanamide

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

V013-5591

Molecular Formula

C23H28F2N2O (C23 H28 F2 N2 O)

Compound Name

N~1~-[1-(2,4-difluorobenzyl)-4-piperidyl]-3-methyl-N~1~-phenylbutanamide

IUPAC name

N-{1-[(24-difluorophenyl)methyl]piperidin-4-yl}-3-methyl-N-phenylbutanamide

SMILES

CC(C)CC(N(C1CCN(Cc(ccc(F)c2)c2F)CC1)c1ccccc1)=O

InChI

InChI=1S/C23H28F2N2O/c1-17(2)14-23(28)27(20-6-4-3-5-7-20)21-10-12-26(13-11-21)16-18-8-9-19(24)15-22(18)25/h3-9,15,17,21H,10-14,16H2,1-2H3

InChI Key

PLTGVRWUTGKRTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19910040

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

386.49

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

4.916

Distribution Coefficient, logD

4.676

Water Solubility, LogSw

-4.62

Polar Surface Area

18.227

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with V013-5591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5591?
Check Price and Availability of V013-5591, 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 V013-5591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5591
  • 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 V013-5591 available by request