8001-3397 Screening compound: 2-(4-ethylphenoxy)-N-[(naphthalen-1-yl)methyl]acetamide

8001-3397 Screening compound: 2-(4-ethylphenoxy)-N-[(naphthalen-1-yl)methyl]acetamide
8001-3397 Screening compound: 2-(4-ethylphenoxy)-N-[(naphthalen-1-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-3397
2-(4-ethylphenoxy)-N-[(naphthalen-1-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

8001-3397

Molecular Formula

C21H21NO2 (C21 H21 NO2)

Compound Name

2-(4-ethylphenoxy)-N-[(naphthalen-1-yl)methyl]acetamide

IUPAC name

2-(4-ethylphenoxy)-N-[(naphthalen-1-yl)methyl]acetamide

SMILES

CCc(cc1)ccc1OCC(NCc1cccc2ccccc12)=O

InChI

InChI=1S/C21H21NO2/c1-2-16-10-12-19(13-11-16)24-15-21(23)22-14-18-8-5-7-17-6-3-4-9-20(17)18/h3-13H,2,14-15H2,1H3,(H,22,23)

InChI Key

LSXCHNRGSDGJEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00383038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.827

Distribution Coefficient, logD

4.827

Water Solubility, LogSw

-5.38

Polar Surface Area

31.666

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

8001-3397 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8001-3397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-3397?
Check Price and Availability of 8001-3397, 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 8001-3397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-3397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-3397
  • 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 8001-3397 available by request