2181-1668 Screening compound: N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-2-(naphthalen-1-yl)acetohydrazide

2181-1668 Screening compound: N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-2-(naphthalen-1-yl)acetohydrazide
2181-1668 Screening compound: N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-2-(naphthalen-1-yl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2181-1668
N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-2-(naphthalen-1-yl)acetohydrazide

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

2181-1668

Molecular Formula

C20H16N2O3 (C20 H16 N2 O3)

Compound Name

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

IUPAC name

N'-[(E)-(2H-13-benzodioxol-5-yl)methylidene]-2-(naphthalen-1-yl)acetohydrazide

SMILES

O=C(Cc1cccc2ccccc12)N/N=C/c(cc1)cc2c1OCO2

InChI

InChI=1S/C20H16N2O3/c23-20(11-16-6-3-5-15-4-1-2-7-17(15)16)22-21-12-14-8-9-18-19(10-14)25-13-24-18/h1-10,12H,11,13H2,(H,22,23)

InChI Key

ZBINFPUNIFYTRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00380192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.36

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

4.142

Distribution Coefficient, logD

4.142

Water Solubility, LogSw

-4.51

Polar Surface Area

52.185

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

2181-1668 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 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 2181-1668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2181-1668?
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What is the minimum amount of 2181-1668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2181-1668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2181-1668
  • 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 2181-1668 available by request