2181-1196 Screening compound: 2-[(naphthalen-1-yl)amino]-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide

2181-1196 Screening compound: 2-[(naphthalen-1-yl)amino]-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide
2181-1196 Screening compound: 2-[(naphthalen-1-yl)amino]-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2181-1196
2-[(naphthalen-1-yl)amino]-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]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

2181-1196

Molecular Formula

C22H23N3O4 (C22 H23 N3 O4)

Compound Name

2-[(naphthalen-1-yl)amino]-N'-[(E)-(3,4,5-trimethoxyphenyl)methylidene]acetohydrazide

IUPAC name

2-[(naphthalen-1-yl)amino]-N'-[(E)-(345-trimethoxyphenyl)methylidene]acetohydrazide

SMILES

COc1cc(/C=N/NC(CNc2cccc3ccccc23)=O)cc(OC)c1OC

InChI

InChI=1S/C22H23N3O4/c1-27-19-11-15(12-20(28-2)22(19)29-3)13-24-25-21(26)14-23-18-10-6-8-16-7-4-5-9-17(16)18/h4-13,23H,14H2,1-3H3,(H,25,26)

InChI Key

LVVHZASTWQRYLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00788014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.837

Distribution Coefficient, logD

3.837

Water Solubility, LogSw

-4.16

Polar Surface Area

67.855

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

2181-1196 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 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 2181-1196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2181-1196?
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What is the minimum amount of 2181-1196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2181-1196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2181-1196
  • 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 2181-1196 available by request