0069-0027 Screening compound: ethyl 1H-indole-2-carboxylate

0069-0027 Screening compound: ethyl 1H-indole-2-carboxylate
0069-0027 Screening compound: ethyl 1H-indole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0069-0027
ethyl 1H-indole-2-carboxylate

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

0069-0027

Molecular Formula

C11H11NO2 (C11 H11 NO2)

Compound Name

ethyl 1H-indole-2-carboxylate

IUPAC name

ethyl 1H-indole-2-carboxylate

SMILES

CCOC(c1cc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C11H11NO2/c1-2-14-11(13)10-7-8-5-3-4-6-9(8)12-10/h3-7,12H,2H2,1H3

InChI Key

QQXQAEWRSVZPJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00005609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

189.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.136

Distribution Coefficient, logD

3.136

Water Solubility, LogSw

-3.34

Polar Surface Area

30.341

Acid Dissociation Constant (pKa)

15.43

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

0069-0027 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Fragments
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 0069-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0069-0027?
Check Price and Availability of 0069-0027, 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 0069-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0069-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0069-0027
  • 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 0069-0027 available by request