E155-0741 Screening compound: N'-[2-(4-benzylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl]-N-(2,4,6-trimethylphenyl)ethanediamide

E155-0741 Screening compound: N'-[2-(4-benzylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl]-N-(2,4,6-trimethylphenyl)ethanediamide
E155-0741 Screening compound: N'-[2-(4-benzylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl]-N-(2,4,6-trimethylphenyl)ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E155-0741
N'-[2-(4-benzylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl]-N-(2,4,6-trimethylphenyl)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

E155-0741

Molecular Formula

C29H35N5O2 (C29 H35 N5 O2)

Compound Name

N'-[2-(4-benzylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl]-N-(2,4,6-trimethylphenyl)ethanediamide

IUPAC name

N'-[2-(4-benzylpiperazin-1-yl)-2-(pyridin-3-yl)ethyl]-N-(246-trimethylphenyl)ethanediamide

SMILES

Cc(cc1C)cc(C)c1NC(C(NCC(c1cnccc1)N1CCN(Cc2ccccc2)CC1)=O)=O

InChI

InChI=1S/C29H35N5O2/c1-21-16-22(2)27(23(3)17-21)32-29(36)28(35)31-19-26(25-10-7-11-30-18-25)34-14-12-33(13-15-34)20-24-8-5-4-6-9-24/h4-11,16-18,26H,12-15,19-20H2,1-3H3,(H,31,35)(H,32,36)/t26-/m0/s1

InChI Key

IBQPMVUFGKJTFX-SANMLTNESA-N

MDL Number (MFCD)

MFCD07196305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.338

Distribution Coefficient, logD

2.000

Water Solubility, LogSw

-2.52

Polar Surface Area

62.667

Acid Dissociation Constant (pKa)

7.44

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

E155-0741 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

References: we are preparing a list of scientific research reports with E155-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E155-0741?
Check Price and Availability of E155-0741, 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 E155-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E155-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E155-0741
  • 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 E155-0741 available by request