0096-0340 Screening compound: 2-(ethoxycarbonyl)-1-oxo-1H-inden-3-olate

0096-0340 Screening compound: 2-(ethoxycarbonyl)-1-oxo-1H-inden-3-olate
0096-0340 Screening compound: 2-(ethoxycarbonyl)-1-oxo-1H-inden-3-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0096-0340
2-(ethoxycarbonyl)-1-oxo-1H-inden-3-olate

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

0096-0340

Molecular Formula

C12H9O4 (C12 H9 O4)

Compound Name

2-(ethoxycarbonyl)-1-oxo-1H-inden-3-olate

IUPAC name

2-(ethoxycarbonyl)-1-oxo-1H-inden-3-olate

SMILES

CCOC(C(C(c1c2cccc1)=O)=C2[O-])=O

InChI

InChI=1S/C12H10O4/c1-2-16-12(15)9-10(13)7-5-3-4-6-8(7)11(9)14/h3-6,13H,2H2,1H3/p-1

InChI Key

LYWLBOMXHHNZHD-UHFFFAOYSA-M

MDL Number (MFCD)

MFCD00452381

Chemical and Physical Properties

Saltdata

Na+

Molecular Weight

217.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.697

Distribution Coefficient, logD

1.697

Water Solubility, LogSw

-2.57

Polar Surface Area

49.496

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

0096-0340 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0096-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0096-0340?
Check Price and Availability of 0096-0340, 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 0096-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0096-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0096-0340
  • 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 0096-0340 available by request