E155-1039 Screening compound: 2-methoxy-N-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzamide

E155-1039 Screening compound: 2-methoxy-N-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzamide
E155-1039 Screening compound: 2-methoxy-N-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E155-1039
2-methoxy-N-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzamide

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

E155-1039

Molecular Formula

C24H25N3O2 (C24 H25 N3 O2)

Compound Name

2-methoxy-N-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]benzamide

IUPAC name

2-methoxy-N-[2-(pyridin-3-yl)-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]benzamide

SMILES

COc(cccc1)c1C(NCC(c1cnccc1)N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C24H25N3O2/c1-29-23-11-5-4-10-21(23)24(28)26-16-22(19-9-6-13-25-15-19)27-14-12-18-7-2-3-8-20(18)17-27/h2-11,13,15,22H,12,14,16-17H2,1H3,(H,26,28)/t22-/m0/s1

InChI Key

NTEJXWPJQILBEK-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD07716656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.221

Distribution Coefficient, logD

3.219

Water Solubility, LogSw

-3.33

Polar Surface Area

44.451

Acid Dissociation Constant (pKa)

10.60

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

E155-1039 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS BBB Library (22607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E155-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E155-1039?
Check Price and Availability of E155-1039, 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 E155-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E155-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E155-1039
  • 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 E155-1039 available by request