S424-0067 Screening compound: N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide

S424-0067 Screening compound: N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide
S424-0067 Screening compound: N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S424-0067
N-[(3-fluorophenyl)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

S424-0067

Molecular Formula

C14H18FNO2 (C14 H18 FNO2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC1CCOCC1)NCc1cccc(F)c1

InChI

InChI=1S/C14H18FNO2/c15-13-3-1-2-12(8-13)10-16-14(17)9-11-4-6-18-7-5-11/h1-3,8,11H,4-7,9-10H2,(H,16,17)

InChI Key

IWQCBPHAGLITLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29005503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.3

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

2.104

Distribution Coefficient, logD

2.104

Water Solubility, LogSw

-2.68

Polar Surface Area

32.539

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S424-0067 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S424-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S424-0067?
Check Price and Availability of S424-0067, 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 S424-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S424-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S424-0067
  • 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 S424-0067 available by request