E155-1113 Screening compound: N-[(2-chlorophenyl)methyl]-N'-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]ethanediamide

E155-1113 Screening compound: N-[(2-chlorophenyl)methyl]-N'-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]ethanediamide
E155-1113 Screening compound: N-[(2-chlorophenyl)methyl]-N'-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E155-1113
N-[(2-chlorophenyl)methyl]-N'-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]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

E155-1113

Molecular Formula

C25H25ClN4O2 (C25 H25 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(NCc(cccc1)c1Cl)=O)NCC(c1cnccc1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C25H25ClN4O2/c26-22-10-4-3-7-19(22)15-28-24(31)25(32)29-16-23(20-9-5-12-27-14-20)30-13-11-18-6-1-2-8-21(18)17-30/h1-10,12,14,23H,11,13,15-17H2,(H,28,31)(H,29,32)/t23-/m0/s1

InChI Key

SEZKEJJFZNWSOW-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD07716751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.95

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

3.129

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-3.46

Polar Surface Area

61.506

Acid Dissociation Constant (pKa)

8.53

Base Dissociation Constant (pKb)

5.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

E155-1113 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Library (67538 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E155-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E155-1113?
Check Price and Availability of E155-1113, 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 E155-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E155-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E155-1113
  • 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 E155-1113 available by request