G856-4158 Screening compound: N-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(4-methoxyphenyl)ethanediamide

G856-4158 Screening compound: N-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(4-methoxyphenyl)ethanediamide
G856-4158 Screening compound: N-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(4-methoxyphenyl)ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-4158
N-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(4-methoxyphenyl)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

G856-4158

Molecular Formula

C23H28N4O5 (C23 H28 N4 O5)

Compound Name

N-[2-(2H-1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(4-methoxyphenyl)ethanediamide

IUPAC name

N-[2-(2H-13-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(4-methoxyphenyl)ethanediamide

SMILES

CN(CC1)CCN1C(CNC(C(Nc(cc1)ccc1OC)=O)=O)c(cc1)cc2c1OCO2

InChI

InChI=1S/C23H28N4O5/c1-26-9-11-27(12-10-26)19(16-3-8-20-21(13-16)32-15-31-20)14-24-22(28)23(29)25-17-4-6-18(30-2)7-5-17/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,24,28)(H,25,29)/t19-/m0/s1

InChI Key

YXPOEOIWDKFUHO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD07192625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.780

Distribution Coefficient, logD

1.406

Water Solubility, LogSw

-2.36

Polar Surface Area

79.140

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

G856-4158 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G856-4158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-4158?
Check Price and Availability of G856-4158, 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 G856-4158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-4158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-4158
  • 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 G856-4158 available by request