4581-2217 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide

4581-2217 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide
4581-2217 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4581-2217
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenoxy)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

4581-2217

Molecular Formula

C17H17NO5 (C17 H17 NO5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-(4-methoxyphenoxy)acetamide

SMILES

COc(cc1)ccc1OCC(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C17H17NO5/c1-20-13-3-5-14(6-4-13)21-10-17(19)18-9-12-2-7-15-16(8-12)23-11-22-15/h2-8H,9-11H2,1H3,(H,18,19)

InChI Key

CQIOWBRQZQDRJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01198328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.474

Distribution Coefficient, logD

2.474

Water Solubility, LogSw

-2.79

Polar Surface Area

56.597

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

4581-2217 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4581-2217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4581-2217?
Check Price and Availability of 4581-2217, 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 4581-2217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4581-2217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4581-2217
  • 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 4581-2217 available by request