5624-1264 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(4-METHOXYPHENYL)ACETAMIDE

5624-1264 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(4-METHOXYPHENYL)ACETAMIDE
5624-1264 Screening compound: N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(4-METHOXYPHENYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5624-1264
N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(4-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

5624-1264

Molecular Formula

C17H17NO4 (C17 H17 NO4)

Compound Name

N-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-2-(4-METHOXYPHENYL)ACETAMIDE

IUPAC name

n/a

SMILES

COc1ccc(CC(NCc(cc2)cc3c2OCO3)=O)cc1

InChI

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

InChI Key

NKCBBGROZYVNOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01358821

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

2.468

Distribution Coefficient, logD

2.468

Water Solubility, LogSw

-2.81

Polar Surface Area

49.098

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.00

5624-1264 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5624-1264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5624-1264?
Check Price and Availability of 5624-1264, 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 5624-1264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5624-1264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5624-1264
  • 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 5624-1264 available by request