E155-1029 Screening compound: 2-(4-fluorophenyl)-N-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]acetamide

E155-1029 Screening compound: 2-(4-fluorophenyl)-N-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]acetamide
E155-1029 Screening compound: 2-(4-fluorophenyl)-N-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E155-1029
2-(4-fluorophenyl)-N-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]acetamide

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

E155-1029

Molecular Formula

C24H24FN3O (C24 H24 FN3 O)

Compound Name

2-(4-fluorophenyl)-N-[2-(pyridin-3-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]acetamide

IUPAC name

2-(4-fluorophenyl)-N-[2-(pyridin-3-yl)-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]acetamide

SMILES

O=C(Cc(cc1)ccc1F)NCC(c1cnccc1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C24H24FN3O/c25-22-9-7-18(8-10-22)14-24(29)27-16-23(20-6-3-12-26-15-20)28-13-11-19-4-1-2-5-21(19)17-28/h1-10,12,15,23H,11,13-14,16-17H2,(H,27,29)/t23-/m0/s1

InChI Key

ATHXDGZZUGWANY-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD07716646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.918

Distribution Coefficient, logD

2.903

Water Solubility, LogSw

-2.83

Polar Surface Area

36.607

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

E155-1029 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

CNS BBB Library (22607 compounds)

Cardiovascular Library (22201 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E155-1029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E155-1029?
Check Price and Availability of E155-1029, 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 E155-1029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E155-1029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E155-1029
  • 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 E155-1029 available by request