4333-5777 Screening compound: (2E)-2-[(4-methoxyphenyl)methylidene]-1,2,3,4-tetrahydronaphthalen-1-one

4333-5777 Screening compound: (2E)-2-[(4-methoxyphenyl)methylidene]-1,2,3,4-tetrahydronaphthalen-1-one
4333-5777 Screening compound: (2E)-2-[(4-methoxyphenyl)methylidene]-1,2,3,4-tetrahydronaphthalen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4333-5777
(2E)-2-[(4-methoxyphenyl)methylidene]-1,2,3,4-tetrahydronaphthalen-1-one

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

4333-5777

Molecular Formula

C18H16O2 (C18 H16 O2)

Compound Name

(2E)-2-[(4-methoxyphenyl)methylidene]-1,2,3,4-tetrahydronaphthalen-1-one

IUPAC name

(2E)-2-[(4-methoxyphenyl)methylidene]-1234-tetrahydronaphthalen-1-one

SMILES

COc1ccc(/C=C(\CCc2c3cccc2)/C3=O)cc1

InChI

InChI=1S/C18H16O2/c1-20-16-10-6-13(7-11-16)12-15-9-8-14-4-2-3-5-17(14)18(15)19/h2-7,10-12H,8-9H2,1H3

InChI Key

QYTJDCMWDKBJFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00019683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.275

Distribution Coefficient, logD

4.275

Water Solubility, LogSw

-4.48

Polar Surface Area

20.578

Acid Dissociation Constant (pKa)

22.34

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4333-5777 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4333-5777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4333-5777?
Check Price and Availability of 4333-5777, 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 4333-5777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4333-5777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4333-5777
  • 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 4333-5777 available by request