1080-0122 Screening compound: (2E)-2-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-inden-1-one

1080-0122 Screening compound: (2E)-2-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-inden-1-one
1080-0122 Screening compound: (2E)-2-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-inden-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1080-0122
(2E)-2-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-inden-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

1080-0122

Molecular Formula

C17H14O2 (C17 H14 O2)

Compound Name

(2E)-2-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-inden-1-one

IUPAC name

(2E)-2-[(4-methoxyphenyl)methylidene]-23-dihydro-1H-inden-1-one

SMILES

COc1ccc(/C=C(\Cc2c3cccc2)/C3=O)cc1

InChI

InChI=1S/C17H14O2/c1-19-15-8-6-12(7-9-15)10-14-11-13-4-2-3-5-16(13)17(14)18/h2-10H,11H2,1H3

InChI Key

VBOMEZWDBOXOKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00096432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.3

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

3.904

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-4.20

Polar Surface Area

20.944

Acid Dissociation Constant (pKa)

17.35

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

1080-0122 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1080-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1080-0122?
Check Price and Availability of 1080-0122, 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 1080-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1080-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1080-0122
  • 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 1080-0122 available by request