S761-0280 Screening compound: 1-benzyl-2-(methoxymethyl)-N-[2-(morpholin-4-yl)ethyl]piperidine-3-carboxamide

S761-0280 Screening compound: 1-benzyl-2-(methoxymethyl)-N-[2-(morpholin-4-yl)ethyl]piperidine-3-carboxamide
S761-0280 Screening compound: 1-benzyl-2-(methoxymethyl)-N-[2-(morpholin-4-yl)ethyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S761-0280
1-benzyl-2-(methoxymethyl)-N-[2-(morpholin-4-yl)ethyl]piperidine-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

S761-0280

Molecular Formula

C21H33N3O3 (C21 H33 N3 O3)

Compound Name

1-benzyl-2-(methoxymethyl)-N-[2-(morpholin-4-yl)ethyl]piperidine-3-carboxamide

IUPAC name

(2S3R)-1-benzyl-2-(methoxymethyl)-N-[2-(morpholin-4-yl)ethyl]piperidine-3-carboxamide

SMILES

COC[C@@H]1N(Cc2ccccc2)CCC[C@@H]1C(NCCN1CCOCC1)=O

InChI

InChI=1S/C21H33N3O3/c1-26-17-20-19(21(25)22-9-11-23-12-14-27-15-13-23)8-5-10-24(20)16-18-6-3-2-4-7-18/h2-4,6-7,19-20H,5,8-17H2,1H3,(H,22,25)/t19-,20-/m0/s1

InChI Key

XWPJMJWQVMNURL-PMACEKPBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.926

Distribution Coefficient, logD

0.558

Water Solubility, LogSw

-2.11

Polar Surface Area

48.176

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

S761-0280 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S761-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S761-0280?
Check Price and Availability of S761-0280, 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 S761-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S761-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S761-0280
  • 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 S761-0280 available by request