8003-0876 Screening compound: N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-[(naphthalen-2-yl)amino]acetohydrazide

8003-0876 Screening compound: N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-[(naphthalen-2-yl)amino]acetohydrazide
8003-0876 Screening compound: N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-[(naphthalen-2-yl)amino]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0876
N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-[(naphthalen-2-yl)amino]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

8003-0876

Molecular Formula

C20H18BrN3O3 (C20 H18 BrN3 O3)

Compound Name

N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-[(naphthalen-2-yl)amino]acetohydrazide

IUPAC name

N'-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-2-[(naphthalen-2-yl)amino]acetohydrazide

SMILES

COc1cc(/C=N/NC(CNc2cc3ccccc3cc2)=O)cc(Br)c1O

InChI

InChI=1S/C20H18BrN3O3/c1-27-18-9-13(8-17(21)20(18)26)11-23-24-19(25)12-22-16-7-6-14-4-2-3-5-15(14)10-16/h2-11,22,26H,12H2,1H3,(H,24,25)

InChI Key

VSSUNCCZQJADIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00733784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.213

Distribution Coefficient, logD

4.165

Water Solubility, LogSw

-4.20

Polar Surface Area

68.685

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8003-0876 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8003-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0876?
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What is the minimum amount of 8003-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0876
  • 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 8003-0876 available by request