E244-0454 Screening compound: 1-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione

E244-0454 Screening compound: 1-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione
E244-0454 Screening compound: 1-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E244-0454
1-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione

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

E244-0454

Molecular Formula

C25H25N3O4 (C25 H25 N3 O4)

Compound Name

1-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethane-1,2-dione

IUPAC name

1-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}-2-(1234-tetrahydroisoquinolin-2-yl)ethane-12-dione

SMILES

O=C(Cn1c(cccc2)c2c(C(C(N(CC2)Cc3c2cccc3)=O)=O)c1)N1CCOCC1

InChI

InChI=1S/C25H25N3O4/c29-23(26-11-13-32-14-12-26)17-28-16-21(20-7-3-4-8-22(20)28)24(30)25(31)27-10-9-18-5-1-2-6-19(18)15-27/h1-8,16H,9-15,17H2

InChI Key

VAHKWMCUTXTFQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05896583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.144

Distribution Coefficient, logD

2.144

Water Solubility, LogSw

-2.67

Polar Surface Area

56.320

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

E244-0454 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)

Selective Target Activity Profiling Library (14702 compounds)

Anti-HIV1 Library (19540 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E244-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E244-0454?
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What is the minimum amount of E244-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E244-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E244-0454
  • 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 E244-0454 available by request