E459-0296 Screening compound: 4-acetyl-N-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

E459-0296 Screening compound: 4-acetyl-N-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
E459-0296 Screening compound: 4-acetyl-N-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E459-0296
4-acetyl-N-[(3-methoxyphenyl)methyl]-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

E459-0296

Molecular Formula

C18H20N2O4S2 (C18 H20 N2 O4 S2)

Compound Name

4-acetyl-N-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

IUPAC name

4-acetyl-N-[(3-methoxyphenyl)methyl]-34-dihydro-2H-14-benzothiazine-6-sulfonamide

SMILES

CC(N1c(cc(cc2)S(NCc3cc(OC)ccc3)(=O)=O)c2SCC1)=O

InChI

InChI=1S/C18H20N2O4S2/c1-13(21)20-8-9-25-18-7-6-16(11-17(18)20)26(22,23)19-12-14-4-3-5-15(10-14)24-2/h3-7,10-11,19H,8-9,12H2,1-2H3

InChI Key

JDFMIHRCZKAEMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.690

Distribution Coefficient, logD

2.690

Water Solubility, LogSw

-3.13

Polar Surface Area

65.593

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

E459-0296 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 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 E459-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E459-0296?
Check Price and Availability of E459-0296, 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 E459-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E459-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E459-0296
  • 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 E459-0296 available by request