4257-1668 Screening compound: ethyl 2-(2-methylindolizin-3-yl)-2-oxoacetate

4257-1668 Screening compound: ethyl 2-(2-methylindolizin-3-yl)-2-oxoacetate
4257-1668 Screening compound: ethyl 2-(2-methylindolizin-3-yl)-2-oxoacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4257-1668
ethyl 2-(2-methylindolizin-3-yl)-2-oxoacetate

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

4257-1668

Molecular Formula

C13H13NO3 (C13 H13 NO3)

Compound Name

ethyl 2-(2-methylindolizin-3-yl)-2-oxoacetate

IUPAC name

ethyl 2-(2-methylindolizin-3-yl)-2-oxoacetate

SMILES

CCOC(C(c1c(C)cc2n1cccc2)=O)=O

InChI

InChI=1S/C13H13NO3/c1-3-17-13(16)12(15)11-9(2)8-10-6-4-5-7-14(10)11/h4-8H,3H2,1-2H3

InChI Key

JOTRBOXKCFHVLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02233335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.557

Distribution Coefficient, logD

2.557

Water Solubility, LogSw

-2.59

Polar Surface Area

33.413

Acid Dissociation Constant (pKa)

26.71

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4257-1668 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4257-1668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4257-1668?
Check Price and Availability of 4257-1668, 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 4257-1668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4257-1668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4257-1668
  • 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 4257-1668 available by request