2181-0869 Screening compound: 2-(4-bromonaphthalen-1-yl)-N'-[(1E)-1-(4-fluorophenyl)ethylidene]acetohydrazide

2181-0869 Screening compound: 2-(4-bromonaphthalen-1-yl)-N'-[(1E)-1-(4-fluorophenyl)ethylidene]acetohydrazide
2181-0869 Screening compound: 2-(4-bromonaphthalen-1-yl)-N'-[(1E)-1-(4-fluorophenyl)ethylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2181-0869
2-(4-bromonaphthalen-1-yl)-N'-[(1E)-1-(4-fluorophenyl)ethylidene]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

2181-0869

Molecular Formula

C20H16BrFN2O (C20 H16 BrFN2 O)

Compound Name

2-(4-bromonaphthalen-1-yl)-N'-[(1E)-1-(4-fluorophenyl)ethylidene]acetohydrazide

IUPAC name

2-(4-bromonaphthalen-1-yl)-N'-[(1E)-1-(4-fluorophenyl)ethylidene]acetohydrazide

SMILES

C/C(/c(cc1)ccc1F)=N\NC(Cc(c1ccccc11)ccc1Br)=O

InChI

InChI=1S/C20H16BrFN2O/c1-13(14-6-9-16(22)10-7-14)23-24-20(25)12-15-8-11-19(21)18-5-3-2-4-17(15)18/h2-11H,12H2,1H3,(H,24,25)

InChI Key

UUCOSUSYVVLISH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.227

Distribution Coefficient, logD

5.225

Water Solubility, LogSw

-5.33

Polar Surface Area

34.357

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

2181-0869 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2181-0869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2181-0869?
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What is the minimum amount of 2181-0869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2181-0869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2181-0869
  • 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 2181-0869 available by request