S424-0238 Screening compound: N-[(4-methylphenyl)methyl]-2-(oxan-4-yl)propanamide

S424-0238 Screening compound: N-[(4-methylphenyl)methyl]-2-(oxan-4-yl)propanamide
S424-0238 Screening compound: N-[(4-methylphenyl)methyl]-2-(oxan-4-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S424-0238
N-[(4-methylphenyl)methyl]-2-(oxan-4-yl)propanamide

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

S424-0238

Molecular Formula

C16H23NO2 (C16 H23 NO2)

Compound Name

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

IUPAC name

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

SMILES

CC(C1CCOCC1)C(NCc1ccc(C)cc1)=O

InChI

InChI=1S/C16H23NO2/c1-12-3-5-14(6-4-12)11-17-16(18)13(2)15-7-9-19-10-8-15/h3-6,13,15H,7-11H2,1-2H3,(H,17,18)/t13-/m0/s1

InChI Key

JSEVBMKHIDMOLO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD30462495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.36

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

2.248

Distribution Coefficient, logD

2.248

Water Solubility, LogSw

-2.60

Polar Surface Area

32.752

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

S424-0238 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 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
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with S424-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S424-0238?
Check Price and Availability of S424-0238, 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 S424-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S424-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S424-0238
  • 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 S424-0238 available by request