E244-0547 Screening compound: methyl 4-(2-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-oxoacetamido)benzoate

E244-0547 Screening compound: methyl 4-(2-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-oxoacetamido)benzoate
E244-0547 Screening compound: methyl 4-(2-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-oxoacetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E244-0547
methyl 4-(2-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-oxoacetamido)benzoate

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

E244-0547

Molecular Formula

C24H23N3O6 (C24 H23 N3 O6)

Compound Name

methyl 4-(2-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-oxoacetamido)benzoate

IUPAC name

methyl 4-(2-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-oxoacetamido)benzoate

SMILES

COC(c(cc1)ccc1NC(C(c1cn(CC(N2CCOCC2)=O)c2c1cccc2)=O)=O)=O

InChI

InChI=1S/C24H23N3O6/c1-32-24(31)16-6-8-17(9-7-16)25-23(30)22(29)19-14-27(20-5-3-2-4-18(19)20)15-21(28)26-10-12-33-13-11-26/h2-9,14H,10-13,15H2,1H3,(H,25,30)

InChI Key

LLCNHKRTZDKXIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05896663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.122

Distribution Coefficient, logD

2.119

Water Solubility, LogSw

-2.93

Polar Surface Area

84.275

Acid Dissociation Constant (pKa)

9.50

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E244-0547 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E244-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E244-0547?
Check Price and Availability of E244-0547, 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 E244-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E244-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E244-0547
  • 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 E244-0547 available by request