3701-0019 Screening compound: [(4-ethylphenyl)methyl][2-(1H-indol-3-yl)ethyl]amine

3701-0019 Screening compound: [(4-ethylphenyl)methyl][2-(1H-indol-3-yl)ethyl]amine
3701-0019 Screening compound: [(4-ethylphenyl)methyl][2-(1H-indol-3-yl)ethyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3701-0019
[(4-ethylphenyl)methyl][2-(1H-indol-3-yl)ethyl]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

3701-0019

Molecular Formula

C19H22N2 (C19 H22 N2)

Compound Name

[(4-ethylphenyl)methyl][2-(1H-indol-3-yl)ethyl]amine

IUPAC name

[(4-ethylphenyl)methyl][2-(1H-indol-3-yl)ethyl]amine

SMILES

CCc1ccc(CNCCc2c[nH]c3c2cccc3)cc1

InChI

InChI=1S/C19H22N2/c1-2-15-7-9-16(10-8-15)13-20-12-11-17-14-21-19-6-4-3-5-18(17)19/h3-10,14,20-21H,2,11-13H2,1H3

InChI Key

ZZKJKRQDOVNYSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02177310

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

278.4

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.969

Distribution Coefficient, logD

1.761

Water Solubility, LogSw

-3.99

Polar Surface Area

21.717

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

9.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

3701-0019 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3701-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3701-0019?
Check Price and Availability of 3701-0019, 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 3701-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3701-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3701-0019
  • 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 3701-0019 available by request