E155-1096 Screening compound: N'-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-N-[(thiophen-2-yl)methyl]ethanediamide

E155-1096 Screening compound: N'-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-N-[(thiophen-2-yl)methyl]ethanediamide
E155-1096 Screening compound: N'-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-N-[(thiophen-2-yl)methyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E155-1096
N'-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-N-[(thiophen-2-yl)methyl]ethanediamide

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

E155-1096

Molecular Formula

C23H24N4O2S (C23 H24 N4 O2 S)

Compound Name

N'-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-N-[(thiophen-2-yl)methyl]ethanediamide

IUPAC name

N'-[2-(pyridin-3-yl)-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-N-[(thiophen-2-yl)methyl]ethanediamide

SMILES

O=C(C(NCc1cccs1)=O)NCC(c1cnccc1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C23H24N4O2S/c28-22(25-14-20-8-4-12-30-20)23(29)26-15-21(18-7-3-10-24-13-18)27-11-9-17-5-1-2-6-19(17)16-27/h1-8,10,12-13,21H,9,11,14-16H2,(H,25,28)(H,26,29)/t21-/m0/s1

InChI Key

CGMBYGWBGFAMLW-NRFANRHFSA-N

MDL Number (MFCD)

MFCD07716734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.322

Distribution Coefficient, logD

2.308

Water Solubility, LogSw

-2.33

Polar Surface Area

62.524

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

E155-1096 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E155-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E155-1096?
Check Price and Availability of E155-1096, 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 E155-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E155-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E155-1096
  • 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 E155-1096 available by request