E230-0455 Screening compound: 4-(1-ethyl-1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide

E230-0455 Screening compound: 4-(1-ethyl-1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide
E230-0455 Screening compound: 4-(1-ethyl-1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E230-0455
4-(1-ethyl-1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide

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

E230-0455

Molecular Formula

C22H26N2O2 (C22 H26 N2 O2)

Compound Name

4-(1-ethyl-1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide

IUPAC name

4-(1-ethyl-1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]butanamide

SMILES

CCn1c(cccc2)c2c(CCCC(NCc2cc(OC)ccc2)=O)c1

InChI

InChI=1S/C22H26N2O2/c1-3-24-16-18(20-11-4-5-12-21(20)24)9-7-13-22(25)23-15-17-8-6-10-19(14-17)26-2/h4-6,8,10-12,14,16H,3,7,9,13,15H2,1-2H3,(H,23,25)

InChI Key

SBFQBRRJRGTXST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14850508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.738

Distribution Coefficient, logD

3.738

Water Solubility, LogSw

-3.90

Polar Surface Area

33.711

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

E230-0455 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 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

References: we are preparing a list of scientific research reports with E230-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E230-0455?
Check Price and Availability of E230-0455, 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 E230-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E230-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E230-0455
  • 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 E230-0455 available by request