E155-0805 Screening compound: N'-(4-ethoxyphenyl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)ethyl}ethanediamide

E155-0805 Screening compound: N'-(4-ethoxyphenyl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)ethyl}ethanediamide
E155-0805 Screening compound: N'-(4-ethoxyphenyl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)ethyl}ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E155-0805
N'-(4-ethoxyphenyl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-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

E155-0805

Molecular Formula

C27H30FN5O3 (C27 H30 FN5 O3)

Compound Name

N'-(4-ethoxyphenyl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)ethyl}ethanediamide

IUPAC name

N'-(4-ethoxyphenyl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(pyridin-3-yl)ethyl}ethanediamide

SMILES

CCOc(cc1)ccc1NC(C(NCC(c1cnccc1)N(CC1)CCN1c(cccc1)c1F)=O)=O

InChI

InChI=1S/C27H30FN5O3/c1-2-36-22-11-9-21(10-12-22)31-27(35)26(34)30-19-25(20-6-5-13-29-18-20)33-16-14-32(15-17-33)24-8-4-3-7-23(24)28/h3-13,18,25H,2,14-17,19H2,1H3,(H,30,34)(H,31,35)/t25-/m0/s1

InChI Key

UDIJWCGRBDKWSQ-VWLOTQADSA-N

MDL Number (MFCD)

MFCD07196369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.829

Distribution Coefficient, logD

2.655

Water Solubility, LogSw

-3.12

Polar Surface Area

70.605

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

E155-0805 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E155-0805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E155-0805?
Check Price and Availability of E155-0805, 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 E155-0805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E155-0805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E155-0805
  • 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 E155-0805 available by request