0096-0298 Screening compound: 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-indene-1,3-dione

0096-0298 Screening compound: 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-indene-1,3-dione
0096-0298 Screening compound: 2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-indene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0096-0298
2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-indene-1,3-dione

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

0096-0298

Molecular Formula

C17H14O4 (C17 H14 O4)

Compound Name

2-(3,4-dimethoxyphenyl)-2,3-dihydro-1H-indene-1,3-dione

IUPAC name

2-(34-dimethoxyphenyl)-23-dihydro-1H-indene-13-dione

SMILES

COc(ccc(C(C(c1c2cccc1)=O)C2=O)c1)c1OC

InChI

InChI=1S/C17H14O4/c1-20-13-8-7-10(9-14(13)21-2)15-16(18)11-5-3-4-6-12(11)17(15)19/h3-9,15H,1-2H3

InChI Key

ABMVPHQMDUVUSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00129490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.651

Distribution Coefficient, logD

-0.709

Water Solubility, LogSw

-3.44

Polar Surface Area

41.807

Acid Dissociation Constant (pKa)

4.04

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

0096-0298 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
  • Digestive system
  • Nervous system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Agro:
  • Agro
Targets:
  • Others
  • GPCR

References: we are preparing a list of scientific research reports with 0096-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0096-0298?
Check Price and Availability of 0096-0298, 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 0096-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0096-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0096-0298
  • 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 0096-0298 available by request