0069-0013 Screening compound: ethyl 2,3-dimethyl-1H-indole-5-carboxylate

0069-0013 Screening compound: ethyl 2,3-dimethyl-1H-indole-5-carboxylate
0069-0013 Screening compound: ethyl 2,3-dimethyl-1H-indole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0069-0013
ethyl 2,3-dimethyl-1H-indole-5-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

0069-0013

Molecular Formula

C13H15NO2 (C13 H15 NO2)

Compound Name

ethyl 2,3-dimethyl-1H-indole-5-carboxylate

IUPAC name

ethyl 23-dimethyl-1H-indole-5-carboxylate

SMILES

CCOC(c(cc1)cc2c1[nH]c(C)c2C)=O

InChI

InChI=1S/C13H15NO2/c1-4-16-13(15)10-5-6-12-11(7-10)8(2)9(3)14-12/h5-7,14H,4H2,1-3H3

InChI Key

VQDRHZVLRCGSFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00458330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.27

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

3.450

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-3.52

Polar Surface Area

30.918

Acid Dissociation Constant (pKa)

17.28

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

0069-0013 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Akt-Targeted Library (14764 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Fragments
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0069-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0069-0013?
Check Price and Availability of 0069-0013, 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 0069-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0069-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0069-0013
  • 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 0069-0013 available by request