0167-0028 Screening compound: 2-(5-methoxy-1H-indol-3-yl)ethan-1-amine

0167-0028 Screening compound: 2-(5-methoxy-1H-indol-3-yl)ethan-1-amine
0167-0028 Screening compound: 2-(5-methoxy-1H-indol-3-yl)ethan-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0167-0028
2-(5-methoxy-1H-indol-3-yl)ethan-1-amine

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

0167-0028

Molecular Formula

C11H14N2O (C11 H14 N2 O)

Compound Name

2-(5-methoxy-1H-indol-3-yl)ethan-1-amine

IUPAC name

2-(5-methoxy-1H-indol-3-yl)ethan-1-amine

SMILES

COc(cc1)cc2c1[nH]cc2CCN

InChI

InChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3

InChI Key

JTEJPPKMYBDEMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00005662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

190.25

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.237

Distribution Coefficient, logD

-1.043

Water Solubility, LogSw

-1.84

Polar Surface Area

38.808

Acid Dissociation Constant (pKa)

18.52

Base Dissociation Constant (pKb)

9.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

0167-0028 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Fragments Library (11262 compounds)

Human GPCR Annotated Library (5539 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 0167-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0167-0028?
Check Price and Availability of 0167-0028, 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 0167-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0167-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0167-0028
  • 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 0167-0028 available by request