E465-0156 Screening compound: 3-oxo-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

E465-0156 Screening compound: 3-oxo-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
E465-0156 Screening compound: 3-oxo-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E465-0156
3-oxo-N-[(thiophen-2-yl)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

E465-0156

Molecular Formula

C13H12N2O3S3 (C13 H12 N2 O3 S3)

Compound Name

3-oxo-N-[(thiophen-2-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

IUPAC name

3-oxo-N-[(thiophen-2-yl)methyl]-34-dihydro-2H-14-benzothiazine-6-sulfonamide

SMILES

O=C1Nc(cc(cc2)S(NCc3cccs3)(=O)=O)c2SC1

InChI

InChI=1S/C13H12N2O3S3/c16-13-8-20-12-4-3-10(6-11(12)15-13)21(17,18)14-7-9-2-1-5-19-9/h1-6,14H,7-8H2,(H,15,16)

InChI Key

GNLMWOXNDMEYNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13756251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.926

Distribution Coefficient, logD

1.925

Water Solubility, LogSw

-2.73

Polar Surface Area

67.836

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

E465-0156 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E465-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E465-0156?
Check Price and Availability of E465-0156, 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 E465-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E465-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E465-0156
  • 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 E465-0156 available by request