8003-3340 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylethanediamide

8003-3340 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylethanediamide
8003-3340 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-3340
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylethanediamide

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

8003-3340

Molecular Formula

C16H14N2O4 (C16 H14 N2 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-phenylethanediamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-N'-phenylethanediamide

SMILES

O=C(C(Nc1ccccc1)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C16H14N2O4/c19-15(16(20)18-12-4-2-1-3-5-12)17-9-11-6-7-13-14(8-11)22-10-21-13/h1-8H,9-10H2,(H,17,19)(H,18,20)

InChI Key

WIGBTGGMBHQHCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00402530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.906

Distribution Coefficient, logD

1.865

Water Solubility, LogSw

-2.62

Polar Surface Area

65.130

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8003-3340 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8003-3340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-3340?
Check Price and Availability of 8003-3340, 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 8003-3340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-3340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-3340
  • 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 8003-3340 available by request