E155-0314 Screening compound: N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)ethyl}-2H-1,3-benzodioxole-5-carboxamide

E155-0314 Screening compound: N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)ethyl}-2H-1,3-benzodioxole-5-carboxamide
E155-0314 Screening compound: N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)ethyl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E155-0314
N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)ethyl}-2H-1,3-benzodioxole-5-carboxamide

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

E155-0314

Molecular Formula

C25H25FN4O3 (C25 H25 FN4 O3)

Compound Name

N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)ethyl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)ethyl}-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)NCC(c1cnccc1)N(CC1)CCN1c(cc1)ccc1F

InChI

InChI=1S/C25H25FN4O3/c26-20-4-6-21(7-5-20)29-10-12-30(13-11-29)22(19-2-1-9-27-15-19)16-28-25(31)18-3-8-23-24(14-18)33-17-32-23/h1-9,14-15,22H,10-13,16-17H2,(H,28,31)/t22-/m0/s1

InChI Key

ABTALAXWNWMKCX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD05894160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.856

Distribution Coefficient, logD

2.856

Water Solubility, LogSw

-3.11

Polar Surface Area

57.535

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

E155-0314 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 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:
  • Nervous system

References: we are preparing a list of scientific research reports with E155-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E155-0314?
Check Price and Availability of E155-0314, 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 E155-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E155-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E155-0314
  • 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 E155-0314 available by request