5626-0841 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methoxyphenyl)acetamide

5626-0841 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methoxyphenyl)acetamide
5626-0841 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5626-0841
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2-methoxyphenyl)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

5626-0841

Molecular Formula

C17H17NO4 (C17 H17 NO4)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CC(NCc(cc2)cc3c2OCO3)=O)cccc1

InChI

InChI=1S/C17H17NO4/c1-20-14-5-3-2-4-13(14)9-17(19)18-10-12-6-7-15-16(8-12)22-11-21-15/h2-8H,9-11H2,1H3,(H,18,19)

InChI Key

SFNHBQIEHJDWPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02862185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.747

Distribution Coefficient, logD

2.747

Water Solubility, LogSw

-3.12

Polar Surface Area

49.184

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

5626-0841 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 5626-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5626-0841?
Check Price and Availability of 5626-0841, 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 5626-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5626-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5626-0841
  • 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 5626-0841 available by request