E542-1596 Screening compound: 3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}-N-(2-phenylpropyl)propanamide

E542-1596 Screening compound: 3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}-N-(2-phenylpropyl)propanamide
E542-1596 Screening compound: 3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}-N-(2-phenylpropyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E542-1596
3-{1-[(4-methylphenyl)methyl]-1H-indol-3-yl}-N-(2-phenylpropyl)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

E542-1596

Molecular Formula

C28H30N2O (C28 H30 N2 O)

Compound Name

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

IUPAC name

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

SMILES

CC(CNC(CCc1cn(Cc2ccc(C)cc2)c2c1cccc2)=O)c1ccccc1

InChI

InChI=1S/C28H30N2O/c1-21-12-14-23(15-13-21)19-30-20-25(26-10-6-7-11-27(26)30)16-17-28(31)29-18-22(2)24-8-4-3-5-9-24/h3-15,20,22H,16-19H2,1-2H3,(H,29,31)/t22-/m0/s1

InChI Key

PUNYSOSRLRQRDP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14897483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.56

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.995

Distribution Coefficient, logD

5.995

Water Solubility, LogSw

-5.59

Polar Surface Area

26.170

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

E542-1596 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E542-1596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E542-1596?
Check Price and Availability of E542-1596, 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 E542-1596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E542-1596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E542-1596
  • 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 E542-1596 available by request