7594-0035 Screening compound: 2-[2-chloro-6-ethoxy-4-({[2-(1H-indol-3-yl)ethyl]amino}methyl)phenoxy]acetamide

7594-0035 Screening compound: 2-[2-chloro-6-ethoxy-4-({[2-(1H-indol-3-yl)ethyl]amino}methyl)phenoxy]acetamide
7594-0035 Screening compound: 2-[2-chloro-6-ethoxy-4-({[2-(1H-indol-3-yl)ethyl]amino}methyl)phenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7594-0035
2-[2-chloro-6-ethoxy-4-({[2-(1H-indol-3-yl)ethyl]amino}methyl)phenoxy]acetamide

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

7594-0035

Molecular Formula

C21H24ClN3O3 (C21 H24 ClN3 O3)

Compound Name

2-[2-chloro-6-ethoxy-4-({[2-(1H-indol-3-yl)ethyl]amino}methyl)phenoxy]acetamide

IUPAC name

2-[2-chloro-6-ethoxy-4-({[2-(1H-indol-3-yl)ethyl]amino}methyl)phenoxy]acetamide

SMILES

CCOc1cc(CNCCc2c[nH]c3c2cccc3)cc(Cl)c1OCC(N)=O

InChI

InChI=1S/C21H24ClN3O3/c1-2-27-19-10-14(9-17(22)21(19)28-13-20(23)26)11-24-8-7-15-12-25-18-6-4-3-5-16(15)18/h3-6,9-10,12,24-25H,2,7-8,11,13H2,1H3,(H2,23,26)

InChI Key

NEXDLCKDIUGQKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05884190

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

401.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.527

Distribution Coefficient, logD

0.044

Water Solubility, LogSw

-3.33

Polar Surface Area

69.987

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

9.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

7594-0035 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Lipid Metabolism Library (9174 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • Epigenetic
  • PPI modulators
Structure:
  • Pool
  • Mimetics

References: we are preparing a list of scientific research reports with 7594-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7594-0035?
Check Price and Availability of 7594-0035, 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 7594-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7594-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7594-0035
  • 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 7594-0035 available by request