S213-0440 Screening compound: N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]-2-phenylacetamide

S213-0440 Screening compound: N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]-2-phenylacetamide
S213-0440 Screening compound: N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-0440
N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]-2-phenylacetamide

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

S213-0440

Molecular Formula

C19H28N2O2 (C19 H28 N2 O2)

Compound Name

N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]-2-phenylacetamide

IUPAC name

N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]-2-phenylacetamide

SMILES

CN(CC1)CCC1N(CC1COCC1)C(Cc1ccccc1)=O

InChI

InChI=1S/C19H28N2O2/c1-20-10-7-18(8-11-20)21(14-17-9-12-23-15-17)19(22)13-16-5-3-2-4-6-16/h2-6,17-18H,7-15H2,1H3/t17-/m1/s1

InChI Key

PITCXTVDMBBAKD-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD28995581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.197

Distribution Coefficient, logD

-0.006

Water Solubility, LogSw

-2.20

Polar Surface Area

27.336

Acid Dissociation Constant (pKa)

18.79

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

S213-0440 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S213-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-0440?
Check Price and Availability of S213-0440, 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 S213-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-0440
  • 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 S213-0440 available by request