0096-0304 Screening compound: 2-cyano-1-oxo-1H-inden-3-olate

0096-0304 Screening compound: 2-cyano-1-oxo-1H-inden-3-olate
0096-0304 Screening compound: 2-cyano-1-oxo-1H-inden-3-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0096-0304
2-cyano-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

0096-0304

Molecular Formula

C10H4NO2 (C10 H4 NO2)

Compound Name

2-cyano-1-oxo-1H-inden-3-olate

IUPAC name

2-cyano-1-oxo-1H-inden-3-olate

SMILES

N#CC(C(c1c2cccc1)=O)=C2[O-]

InChI

InChI=1S/C10H5NO2/c11-5-8-9(12)6-3-1-2-4-7(6)10(8)13/h1-4,12H/p-1

InChI Key

JDASRNMMRXOZAU-UHFFFAOYSA-M

MDL Number (MFCD)

MFCD00460606

Chemical and Physical Properties

Saltdata

Na+

Molecular Weight

170.15

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.064

Distribution Coefficient, logD

1.064

Water Solubility, LogSw

-2.25

Polar Surface Area

45.799

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0096-0304 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0096-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0096-0304?
Check Price and Availability of 0096-0304, 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 0096-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0096-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0096-0304
  • 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 0096-0304 available by request