E589-4198 Screening compound: 7-{[4-(4-acetylphenyl)piperazino]sulfonyl}-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indol-5(6H)-one

E589-4198 Screening compound: 7-{[4-(4-acetylphenyl)piperazino]sulfonyl}-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indol-5(6H)-one
E589-4198 Screening compound: 7-{[4-(4-acetylphenyl)piperazino]sulfonyl}-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indol-5(6H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-4198
7-{[4-(4-acetylphenyl)piperazino]sulfonyl}-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indol-5(6H)-one

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

E589-4198

Molecular Formula

C23H25N3O4S2 (C23 H25 N3 O4 S2)

Compound Name

7-{[4-(4-acetylphenyl)piperazino]sulfonyl}-2-methyl-2,3-dihydro[1,4]thiazino[2,3,4-hi]indol-5(6H)-one

IUPAC name

5-{[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl}-10-methyl-9-thia-1-azatricyclo[6.3.1.0^{412}]dodeca-4(12)57-trien-2-one

SMILES

CC(C1)Sc(ccc(S(N(CC2)CCN2c(cc2)ccc2C(C)=O)(=O)=O)c2C3)c2N1C3=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.817

Distribution Coefficient, logD

2.816

Water Solubility, LogSw

-3.19

Polar Surface Area

66.573

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

E589-4198 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Purinergic Library (3321 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:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E589-4198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-4198?
Check Price and Availability of E589-4198, 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 E589-4198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-4198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-4198
  • 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 E589-4198 available by request