E459-0259 Screening compound: 4-acetyl-N-ethyl-N-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

E459-0259 Screening compound: 4-acetyl-N-ethyl-N-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
E459-0259 Screening compound: 4-acetyl-N-ethyl-N-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E459-0259
4-acetyl-N-ethyl-N-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

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

E459-0259

Molecular Formula

C19H22N2O3S2 (C19 H22 N2 O3 S2)

Compound Name

4-acetyl-N-ethyl-N-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

IUPAC name

4-acetyl-N-ethyl-N-(3-methylphenyl)-34-dihydro-2H-14-benzothiazine-6-sulfonamide

SMILES

CCN(c1cc(C)ccc1)S(c(cc1)cc2c1SCCN2C(C)=O)(=O)=O

InChI

InChI=1S/C19H22N2O3S2/c1-4-21(16-7-5-6-14(2)12-16)26(23,24)17-8-9-19-18(13-17)20(15(3)22)10-11-25-19/h5-9,12-13H,4,10-11H2,1-3H3

InChI Key

ZPBRQCLRFGQASW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.544

Distribution Coefficient, logD

3.544

Water Solubility, LogSw

-3.79

Polar Surface Area

47.841

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

E459-0259 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 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

References: we are preparing a list of scientific research reports with E459-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E459-0259?
Check Price and Availability of E459-0259, 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 E459-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E459-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E459-0259
  • 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 E459-0259 available by request