0394-0747 Screening compound: N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-2-cyanoacetohydrazide

0394-0747 Screening compound: N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-2-cyanoacetohydrazide
0394-0747 Screening compound: N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-2-cyanoacetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0394-0747
N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-2-cyanoacetohydrazide

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

0394-0747

Molecular Formula

C11H9N3O3 (C11 H9 N3 O3)

Compound Name

N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-2-cyanoacetohydrazide

IUPAC name

N'-[(E)-(2H-13-benzodioxol-5-yl)methylidene]-2-cyanoacetohydrazide

SMILES

N#CCC(N/N=C/c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C11H9N3O3/c12-4-3-11(15)14-13-6-8-1-2-9-10(5-8)17-7-16-9/h1-2,5-6H,3,7H2,(H,14,15)

InChI Key

JASXZFYKCMRFAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00441472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.062

Distribution Coefficient, logD

1.039

Water Solubility, LogSw

-2.09

Polar Surface Area

70.220

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

0394-0747 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0394-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0394-0747?
Check Price and Availability of 0394-0747, 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 0394-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0394-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0394-0747
  • 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 0394-0747 available by request