E244-0561 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-oxoacetamide

E244-0561 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-oxoacetamide
E244-0561 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E244-0561
N-(2H-1,3-benzodioxol-5-yl)-2-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-oxoacetamide

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

E244-0561

Molecular Formula

C23H21N3O6 (C23 H21 N3 O6)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-oxoacetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-oxoacetamide

SMILES

O=C(Cn1c(cccc2)c2c(C(C(Nc(cc2)cc3c2OCO3)=O)=O)c1)N1CCOCC1

InChI

InChI=1S/C23H21N3O6/c27-21(25-7-9-30-10-8-25)13-26-12-17(16-3-1-2-4-18(16)26)22(28)23(29)24-15-5-6-19-20(11-15)32-14-31-19/h1-6,11-12H,7-10,13-14H2,(H,24,29)

InChI Key

ORWBHJVHJNJNTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05896675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.864

Distribution Coefficient, logD

1.863

Water Solubility, LogSw

-2.84

Polar Surface Area

80.217

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E244-0561 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Anti-HIV1 Library (19540 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with E244-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E244-0561?
Check Price and Availability of E244-0561, 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 E244-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E244-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E244-0561
  • 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 E244-0561 available by request