S213-0425 Screening compound: 2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]acetamide

S213-0425 Screening compound: 2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]acetamide
S213-0425 Screening compound: 2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S213-0425
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)-N-[(oxolan-3-yl)methyl]acetamide

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

S213-0425

Molecular Formula

C20H30N2O3 (C20 H30 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OCC(N(CC2COCC2)C2CCN(C)CC2)=O)c1

InChI

InChI=1S/C20H30N2O3/c1-16-4-3-5-19(12-16)25-15-20(23)22(13-17-8-11-24-14-17)18-6-9-21(2)10-7-18/h3-5,12,17-18H,6-11,13-15H2,1-2H3/t17-/m1/s1

InChI Key

QTUGHLSYWYTMMB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD29018007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.401

Distribution Coefficient, logD

0.199

Water Solubility, LogSw

-2.52

Polar Surface Area

34.836

Acid Dissociation Constant (pKa)

25.58

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

S213-0425 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S213-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S213-0425?
Check Price and Availability of S213-0425, 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 S213-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S213-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S213-0425
  • 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 S213-0425 available by request