4048-1498 Screening compound: ethyl 2-amino-3-(1H-indol-3-yl)propanoate

4048-1498 Screening compound: ethyl 2-amino-3-(1H-indol-3-yl)propanoate
4048-1498 Screening compound: ethyl 2-amino-3-(1H-indol-3-yl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4048-1498
ethyl 2-amino-3-(1H-indol-3-yl)propanoate

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

4048-1498

Molecular Formula

C13H16N2O2 (C13 H16 N2 O2)

Compound Name

ethyl 2-amino-3-(1H-indol-3-yl)propanoate

IUPAC name

ethyl 2-amino-3-(1H-indol-3-yl)propanoate

SMILES

CCOC(C(Cc1c[nH]c2c1cccc2)N)=O

InChI

InChI=1S/C13H16N2O2/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12/h3-6,8,11,15H,2,7,14H2,1H3

InChI Key

DABYEOZXRSTEGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00434161

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

232.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.539

Distribution Coefficient, logD

1.409

Water Solubility, LogSw

-2.09

Polar Surface Area

51.652

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

6.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

4048-1498 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4048-1498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4048-1498?
Check Price and Availability of 4048-1498, 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 4048-1498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4048-1498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4048-1498
  • 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 4048-1498 available by request