E542-0435 Screening compound: 3-(1-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide

E542-0435 Screening compound: 3-(1-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide
E542-0435 Screening compound: 3-(1-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E542-0435
3-(1-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)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

E542-0435

Molecular Formula

C21H24N2O (C21 H24 N2 O)

Compound Name

3-(1-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide

IUPAC name

3-(1-ethyl-1H-indol-3-yl)-N-(1-phenylethyl)propanamide

SMILES

CCn1c(cccc2)c2c(CCC(NC(C)c2ccccc2)=O)c1

InChI

InChI=1S/C21H24N2O/c1-3-23-15-18(19-11-7-8-12-20(19)23)13-14-21(24)22-16(2)17-9-5-4-6-10-17/h4-12,15-16H,3,13-14H2,1-2H3,(H,22,24)/t16-/m0/s1

InChI Key

QUXUWMHCACTVMV-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14897374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

3.860

Water Solubility, LogSw

-3.84

Polar Surface Area

25.330

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

E542-0435 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CORONAVIRUS Library (20774 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E542-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E542-0435?
Check Price and Availability of E542-0435, 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 E542-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E542-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E542-0435
  • 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 E542-0435 available by request