3902-0870 Screening compound: N'-[(E)-(2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-2-PHENYLACETOHYDRAZIDE

3902-0870 Screening compound: N'-[(E)-(2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-2-PHENYLACETOHYDRAZIDE
3902-0870 Screening compound: N'-[(E)-(2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-2-PHENYLACETOHYDRAZIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3902-0870
N'-[(E)-(2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-2-PHENYLACETOHYDRAZIDE

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

3902-0870

Molecular Formula

C16H14N2O3 (C16 H14 N2 O3)

Compound Name

N'-[(E)-(2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-2-PHENYLACETOHYDRAZIDE

IUPAC name

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

SMILES

O=C(Cc1ccccc1)N/N=C/c(cc1)cc2c1OCO2

InChI

InChI=1S/C16H14N2O3/c19-16(9-12-4-2-1-3-5-12)18-17-10-13-6-7-14-15(8-13)21-11-20-14/h1-8,10H,9,11H2,(H,18,19)

InChI Key

BUJADRAIFAJMLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00416825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.846

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-3.28

Polar Surface Area

52.456

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3902-0870 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 3902-0870 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3902-0870?
Check Price and Availability of 3902-0870, 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 3902-0870 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3902-0870
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3902-0870
  • 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 3902-0870 available by request