E244-0450 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}ethane-1,2-dione

E244-0450 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}ethane-1,2-dione
E244-0450 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}ethane-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E244-0450
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-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

E244-0450

Molecular Formula

C26H27FN4O4 (C26 H27 FN4 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cn1c(cccc2)c2c(C(C(N(CC2)CCN2c(cc2)ccc2F)=O)=O)c1)N1CCOCC1

InChI

InChI=1S/C26H27FN4O4/c27-19-5-7-20(8-6-19)28-9-11-30(12-10-28)26(34)25(33)22-17-31(23-4-2-1-3-21(22)23)18-24(32)29-13-15-35-16-14-29/h1-8,17H,9-16,18H2

InChI Key

WVAGGDSLEUZXAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05896579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.060

Distribution Coefficient, logD

2.060

Water Solubility, LogSw

-2.71

Polar Surface Area

59.919

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

E244-0450 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 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
  • Pool
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 E244-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E244-0450?
Check Price and Availability of E244-0450, 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 E244-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E244-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E244-0450
  • 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 E244-0450 available by request