S761-0060 Screening compound: N-[(3,5-difluorophenyl)methyl]-2-(methoxymethyl)-1-methylpiperidine-3-carboxamide

S761-0060 Screening compound: N-[(3,5-difluorophenyl)methyl]-2-(methoxymethyl)-1-methylpiperidine-3-carboxamide
S761-0060 Screening compound: N-[(3,5-difluorophenyl)methyl]-2-(methoxymethyl)-1-methylpiperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S761-0060
N-[(3,5-difluorophenyl)methyl]-2-(methoxymethyl)-1-methylpiperidine-3-carboxamide

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

S761-0060

Molecular Formula

C16H22F2N2O2 (C16 H22 F2 N2 O2)

Compound Name

N-[(3,5-difluorophenyl)methyl]-2-(methoxymethyl)-1-methylpiperidine-3-carboxamide

IUPAC name

(2S3R)-N-[(35-difluorophenyl)methyl]-2-(methoxymethyl)-1-methylpiperidine-3-carboxamide

SMILES

CN(CCC1)[C@@H](COC)[C@H]1C(NCc1cc(F)cc(F)c1)=O

InChI

InChI=1S/C16H22F2N2O2/c1-20-5-3-4-14(15(20)10-22-2)16(21)19-9-11-6-12(17)8-13(18)7-11/h6-8,14-15H,3-5,9-10H2,1-2H3,(H,19,21)/t14-,15-/m0/s1

InChI Key

RFISVJYVGRFXNK-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.427

Distribution Coefficient, logD

0.217

Water Solubility, LogSw

-2.19

Polar Surface Area

36.430

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.25

S761-0060 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with S761-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S761-0060?
Check Price and Availability of S761-0060, 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 S761-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S761-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S761-0060
  • 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 S761-0060 available by request