S424-0161 Screening compound: N-[(3-ethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide

S424-0161 Screening compound: N-[(3-ethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
S424-0161 Screening compound: N-[(3-ethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S424-0161
N-[(3-ethoxyphenyl)methyl]-2-(oxan-4-yl)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

S424-0161

Molecular Formula

C16H23NO3 (C16 H23 NO3)

Compound Name

N-[(3-ethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide

IUPAC name

N-[(3-ethoxyphenyl)methyl]-2-(oxan-4-yl)acetamide

SMILES

CCOc1cccc(CNC(CC2CCOCC2)=O)c1

InChI

InChI=1S/C16H23NO3/c1-2-20-15-5-3-4-14(10-15)12-17-16(18)11-13-6-8-19-9-7-13/h3-5,10,13H,2,6-9,11-12H2,1H3,(H,17,18)

InChI Key

QSLQBXZNLGWKSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29005529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.425

Distribution Coefficient, logD

2.425

Water Solubility, LogSw

-2.71

Polar Surface Area

39.663

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

S424-0161 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S424-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S424-0161?
Check Price and Availability of S424-0161, 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 S424-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S424-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S424-0161
  • 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 S424-0161 available by request