S424-0076 Screening compound: N-[(4-methylphenyl)methyl]-2-(oxan-4-yl)acetamide

S424-0076 Screening compound: N-[(4-methylphenyl)methyl]-2-(oxan-4-yl)acetamide
S424-0076 Screening compound: N-[(4-methylphenyl)methyl]-2-(oxan-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S424-0076
N-[(4-methylphenyl)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

S424-0076

Molecular Formula

C15H21NO2 (C15 H21 NO2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(CC2CCOCC2)=O)cc1

InChI

InChI=1S/C15H21NO2/c1-12-2-4-14(5-3-12)11-16-15(17)10-13-6-8-18-9-7-13/h2-5,13H,6-11H2,1H3,(H,16,17)

InChI Key

GEZLMJGMNXJHJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30462489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.364

Distribution Coefficient, logD

2.364

Water Solubility, LogSw

-2.74

Polar Surface Area

32.539

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.33

S424-0076 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Cardiovascular
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S424-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S424-0076?
Check Price and Availability of S424-0076, 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 S424-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S424-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S424-0076
  • 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 S424-0076 available by request