4513-0236 Screening compound: ethyl 3-(1H-indol-3-yl)-3-oxopropanoate

4513-0236 Screening compound: ethyl 3-(1H-indol-3-yl)-3-oxopropanoate
4513-0236 Screening compound: ethyl 3-(1H-indol-3-yl)-3-oxopropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4513-0236
ethyl 3-(1H-indol-3-yl)-3-oxopropanoate

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

4513-0236

Molecular Formula

C13H13NO3 (C13 H13 NO3)

Compound Name

ethyl 3-(1H-indol-3-yl)-3-oxopropanoate

IUPAC name

ethyl 3-(1H-indol-3-yl)-3-oxopropanoate

SMILES

CCOC(CC(c1c[nH]c2c1cccc2)=O)=O

InChI

InChI=1S/C13H13NO3/c1-2-17-13(16)7-12(15)10-8-14-11-6-4-3-5-9(10)11/h3-6,8,14H,2,7H2,1H3

InChI Key

OWQVISRKOOQTHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00450769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.216

Distribution Coefficient, logD

2.216

Water Solubility, LogSw

-2.73

Polar Surface Area

43.515

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4513-0236 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4513-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4513-0236?
Check Price and Availability of 4513-0236, 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 4513-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4513-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4513-0236
  • 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 4513-0236 available by request