E589-3295 Screening compound: 2-ethyl-N-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

E589-3295 Screening compound: 2-ethyl-N-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
E589-3295 Screening compound: 2-ethyl-N-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E589-3295
2-ethyl-N-(4-methoxyphenyl)-3-oxo-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

E589-3295

Molecular Formula

C17H18N2O4S2 (C17 H18 N2 O4 S2)

Compound Name

2-ethyl-N-(4-methoxyphenyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

IUPAC name

2-ethyl-N-(4-methoxyphenyl)-3-oxo-34-dihydro-2H-14-benzothiazine-6-sulfonamide

SMILES

CCC1Sc(ccc(S(Nc(cc2)ccc2OC)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C17H18N2O4S2/c1-3-15-17(20)18-14-10-13(8-9-16(14)24-15)25(21,22)19-11-4-6-12(23-2)7-5-11/h4-10,15,19H,3H2,1-2H3,(H,18,20)/t15-/m1/s1

InChI Key

QSHYRHXDEOZCQI-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD14900827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.503

Distribution Coefficient, logD

3.453

Water Solubility, LogSw

-3.77

Polar Surface Area

73.309

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

E589-3295 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 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:
  • Immune system

References: we are preparing a list of scientific research reports with E589-3295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E589-3295?
Check Price and Availability of E589-3295, 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 E589-3295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E589-3295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E589-3295
  • 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 E589-3295 available by request