1981-1383 Screening compound: N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-fluorophenyl)acetohydrazide

1981-1383 Screening compound: N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-fluorophenyl)acetohydrazide
1981-1383 Screening compound: N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-fluorophenyl)acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1981-1383
N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-fluorophenyl)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

1981-1383

Molecular Formula

C16H13FN2O3 (C16 H13 FN2 O3)

Compound Name

N'-[(E)-(2H-1,3-benzodioxol-5-yl)methylidene]-2-(4-fluorophenyl)acetohydrazide

IUPAC name

N'-[(E)-(2H-13-benzodioxol-5-yl)methylidene]-2-(4-fluorophenyl)acetohydrazide

SMILES

O=C(Cc(cc1)ccc1F)N/N=C/c(cc1)cc2c1OCO2

InChI

InChI=1S/C16H13FN2O3/c17-13-4-1-11(2-5-13)8-16(20)19-18-9-12-3-6-14-15(7-12)22-10-21-14/h1-7,9H,8,10H2,(H,19,20)

InChI Key

GJGTYODYLMPEOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01451729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.29

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

2.875

Distribution Coefficient, logD

2.875

Water Solubility, LogSw

-3.22

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

1981-1383 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Eccentric PPI Library (11937 compounds)

Human Receptors Annotated Library (5376 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 1981-1383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1981-1383?
Check Price and Availability of 1981-1383, 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 1981-1383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1981-1383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1981-1383
  • 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 1981-1383 available by request