E465-0085 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

E465-0085 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
E465-0085 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E465-0085
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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

E465-0085

Molecular Formula

C16H14N2O5S2 (C16 H14 N2 O5 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazine-6-sulfonamide

SMILES

O=C1Nc(cc(cc2)S(NCc(cc3)cc4c3OCO4)(=O)=O)c2SC1

InChI

InChI=1S/C16H14N2O5S2/c19-16-8-24-15-4-2-11(6-12(15)18-16)25(20,21)17-7-10-1-3-13-14(5-10)23-9-22-13/h1-6,17H,7-9H2,(H,18,19)

InChI Key

CRHLNGLHARKVTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.024

Distribution Coefficient, logD

2.024

Water Solubility, LogSw

-2.83

Polar Surface Area

83.933

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

E465-0085 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with E465-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E465-0085?
Check Price and Availability of E465-0085, 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 E465-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E465-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E465-0085
  • 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 E465-0085 available by request