S761-0084 Screening compound: N-benzyl-2-(methoxymethyl)-1-methylpiperidine-3-carboxamide

S761-0084 Screening compound: N-benzyl-2-(methoxymethyl)-1-methylpiperidine-3-carboxamide
S761-0084 Screening compound: N-benzyl-2-(methoxymethyl)-1-methylpiperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S761-0084
N-benzyl-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

S761-0084

Molecular Formula

C16H24N2O2 (C16 H24 N2 O2)

Compound Name

N-benzyl-2-(methoxymethyl)-1-methylpiperidine-3-carboxamide

IUPAC name

(2S3R)-N-benzyl-2-(methoxymethyl)-1-methylpiperidine-3-carboxamide

SMILES

CN(CCC1)[C@@H](COC)[C@H]1C(NCc1ccccc1)=O

InChI

InChI=1S/C16H24N2O2/c1-18-10-6-9-14(15(18)12-20-2)16(19)17-11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3,(H,17,19)/t14-,15-/m0/s1

InChI Key

NDAKTVOAFHBLRS-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.38

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

0.894

Distribution Coefficient, logD

-0.316

Water Solubility, LogSw

-1.92

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

S761-0084 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

CORONAVIRUS Library (20774 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with S761-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S761-0084?
Check Price and Availability of S761-0084, 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 S761-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S761-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S761-0084
  • 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 S761-0084 available by request