E542-1696 Screening compound: N-[2-(4-ethoxyphenyl)ethyl]-3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanamide

E542-1696 Screening compound: N-[2-(4-ethoxyphenyl)ethyl]-3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanamide
E542-1696 Screening compound: N-[2-(4-ethoxyphenyl)ethyl]-3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E542-1696
N-[2-(4-ethoxyphenyl)ethyl]-3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanamide

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

E542-1696

Molecular Formula

C29H32N2O2 (C29 H32 N2 O2)

Compound Name

N-[2-(4-ethoxyphenyl)ethyl]-3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanamide

IUPAC name

N-[2-(4-ethoxyphenyl)ethyl]-3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}propanamide

SMILES

CCOc1ccc(CCNC(CCc2cn(Cc3ccc(C)cc3)c3c2cccc3)=O)cc1

InChI

InChI=1S/C29H32N2O2/c1-3-33-26-15-12-23(13-16-26)18-19-30-29(32)17-14-25-21-31(28-7-5-4-6-27(25)28)20-24-10-8-22(2)9-11-24/h4-13,15-16,21H,3,14,17-20H2,1-2H3,(H,30,32)

InChI Key

AUTKSXQQQDOISQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14897510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.294

Distribution Coefficient, logD

5.294

Water Solubility, LogSw

-5.28

Polar Surface Area

33.136

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

E542-1696 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E542-1696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E542-1696?
Check Price and Availability of E542-1696, 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 E542-1696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E542-1696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E542-1696
  • 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 E542-1696 available by request