E155-0312 Screening compound: N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)ethyl}-3,4-dimethoxybenzamide

E155-0312 Screening compound: N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)ethyl}-3,4-dimethoxybenzamide
E155-0312 Screening compound: N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)ethyl}-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E155-0312
N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)ethyl}-3,4-dimethoxybenzamide

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

E155-0312

Molecular Formula

C26H29FN4O3 (C26 H29 FN4 O3)

Compound Name

N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)ethyl}-3,4-dimethoxybenzamide

IUPAC name

N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)ethyl}-34-dimethoxybenzamide

SMILES

COc(ccc(C(NCC(c1cnccc1)N(CC1)CCN1c(cc1)ccc1F)=O)c1)c1OC

InChI

InChI=1S/C26H29FN4O3/c1-33-24-10-5-19(16-25(24)34-2)26(32)29-18-23(20-4-3-11-28-17-20)31-14-12-30(13-15-31)22-8-6-21(27)7-9-22/h3-11,16-17,23H,12-15,18H2,1-2H3,(H,29,32)/t23-/m0/s1

InChI Key

HFXBZIOXDNMEQJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD05894158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.558

Distribution Coefficient, logD

2.557

Water Solubility, LogSw

-2.62

Polar Surface Area

55.680

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

E155-0312 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

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

C-Met Library (15277 compounds)

CNS Targets (44014 compounds)

Selective Target Activity Profiling Library (14702 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
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Nervous system
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E155-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E155-0312?
Check Price and Availability of E155-0312, 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 E155-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E155-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E155-0312
  • 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 E155-0312 available by request