7594-0044 Screening compound: [(3-chloro-4,5-diethoxyphenyl)methyl][2-(1H-indol-3-yl)ethyl]amine

7594-0044 Screening compound: [(3-chloro-4,5-diethoxyphenyl)methyl][2-(1H-indol-3-yl)ethyl]amine
7594-0044 Screening compound: [(3-chloro-4,5-diethoxyphenyl)methyl][2-(1H-indol-3-yl)ethyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7594-0044
[(3-chloro-4,5-diethoxyphenyl)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

7594-0044

Molecular Formula

C21H25ClN2O2 (C21 H25 ClN2 O2)

Compound Name

[(3-chloro-4,5-diethoxyphenyl)methyl][2-(1H-indol-3-yl)ethyl]amine

IUPAC name

[(3-chloro-45-diethoxyphenyl)methyl][2-(1H-indol-3-yl)ethyl]amine

SMILES

CCOc1cc(CNCCc2c[nH]c3c2cccc3)cc(Cl)c1OCC

InChI

InChI=1S/C21H25ClN2O2/c1-3-25-20-12-15(11-18(22)21(20)26-4-2)13-23-10-9-16-14-24-19-8-6-5-7-17(16)19/h5-8,11-12,14,23-24H,3-4,9-10,13H2,1-2H3

InChI Key

APABSGRYLLJSEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05882018

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

372.89

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.367

Distribution Coefficient, logD

1.884

Water Solubility, LogSw

-4.46

Polar Surface Area

36.224

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

9.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

7594-0044 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 7594-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7594-0044?
Check Price and Availability of 7594-0044, 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 7594-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7594-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7594-0044
  • 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 7594-0044 available by request