8010-4454 Screening compound: 3-(2-aminoethyl)-2-methyl-1H-indole-5-carboxylic acid

8010-4454 Screening compound: 3-(2-aminoethyl)-2-methyl-1H-indole-5-carboxylic acid
8010-4454 Screening compound: 3-(2-aminoethyl)-2-methyl-1H-indole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4454
3-(2-aminoethyl)-2-methyl-1H-indole-5-carboxylic acid

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

8010-4454

Molecular Formula

C12H14N2O2 (C12 H14 N2 O2)

Compound Name

3-(2-aminoethyl)-2-methyl-1H-indole-5-carboxylic acid

IUPAC name

3-(2-aminoethyl)-2-methyl-1H-indole-5-carboxylic acid

SMILES

Cc1c(CCN)c(cc(cc2)C(O)=O)c2[nH]1

InChI

InChI=1S/C12H14N2O2/c1-7-9(4-5-13)10-6-8(12(15)16)2-3-11(10)14-7/h2-3,6,14H,4-5,13H2,1H3,(H,15,16)

InChI Key

YCNQXJKQBUEVSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110380

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

218.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.562

Distribution Coefficient, logD

1.562

Water Solubility, LogSw

-1.94

Polar Surface Area

59.728

Acid Dissociation Constant (pKa)

5.83

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8010-4454 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8010-4454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4454?
Check Price and Availability of 8010-4454, 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 8010-4454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4454
  • 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 8010-4454 available by request