7594-0037 Screening compound: 2-[2-chloro-4-({[2-(1H-indol-3-yl)ethyl]amino}methyl)-6-methoxyphenoxy]acetamide

7594-0037 Screening compound: 2-[2-chloro-4-({[2-(1H-indol-3-yl)ethyl]amino}methyl)-6-methoxyphenoxy]acetamide
7594-0037 Screening compound: 2-[2-chloro-4-({[2-(1H-indol-3-yl)ethyl]amino}methyl)-6-methoxyphenoxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7594-0037
2-[2-chloro-4-({[2-(1H-indol-3-yl)ethyl]amino}methyl)-6-methoxyphenoxy]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

7594-0037

Molecular Formula

C20H22ClN3O3 (C20 H22 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(CNCCc2c[nH]c3c2cccc3)cc(Cl)c1OCC(N)=O

InChI

InChI=1S/C20H22ClN3O3/c1-26-18-9-13(8-16(21)20(18)27-12-19(22)25)10-23-7-6-14-11-24-17-5-3-2-4-15(14)17/h2-5,8-9,11,23-24H,6-7,10,12H2,1H3,(H2,22,25)

InChI Key

WGLLOUBILAXFSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05884219

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

387.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.252

Distribution Coefficient, logD

-0.230

Water Solubility, LogSw

-3.20

Polar Surface Area

70.407

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

9.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

7594-0037 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 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:
  • Cardiovascular
  • Metabolic
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 7594-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7594-0037?
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What is the minimum amount of 7594-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7594-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7594-0037
  • 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 7594-0037 available by request