G856-4139 Screening compound: N'-[2-(2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)ethyl]-N-methylethanediamide

G856-4139 Screening compound: N'-[2-(2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)ethyl]-N-methylethanediamide
G856-4139 Screening compound: N'-[2-(2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)ethyl]-N-methylethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-4139
N'-[2-(2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)ethyl]-N-methylethanediamide

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

G856-4139

Molecular Formula

C16H21N3O5 (C16 H21 N3 O5)

Compound Name

N'-[2-(2H-1,3-benzodioxol-5-yl)-2-(morpholin-4-yl)ethyl]-N-methylethanediamide

IUPAC name

N'-[2-(2H-13-benzodioxol-5-yl)-2-(morpholin-4-yl)ethyl]-N-methylethanediamide

SMILES

CNC(C(NCC(c(cc1)cc2c1OCO2)N1CCOCC1)=O)=O

InChI

InChI=1S/C16H21N3O5/c1-17-15(20)16(21)18-9-12(19-4-6-22-7-5-19)11-2-3-13-14(8-11)24-10-23-13/h2-3,8,12H,4-7,9-10H2,1H3,(H,17,20)(H,18,21)/t12-/m0/s1

InChI Key

ANMFADYHTARYIN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD07192613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.045

Distribution Coefficient, logD

-0.102

Water Solubility, LogSw

-1.89

Polar Surface Area

77.772

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

G856-4139 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Soluble Diversity Library (15920 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G856-4139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-4139?
Check Price and Availability of G856-4139, 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 G856-4139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-4139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-4139
  • 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 G856-4139 available by request