E465-0552 Screening compound: N-(2,4-dimethoxyphenyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

E465-0552 Screening compound: N-(2,4-dimethoxyphenyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
E465-0552 Screening compound: N-(2,4-dimethoxyphenyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E465-0552
N-(2,4-dimethoxyphenyl)-2-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

E465-0552

Molecular Formula

C17H18N2O5S2 (C17 H18 N2 O5 S2)

Compound Name

N-(2,4-dimethoxyphenyl)-2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide

IUPAC name

N-(24-dimethoxyphenyl)-2-methyl-3-oxo-34-dihydro-2H-14-benzothiazine-6-sulfonamide

SMILES

CC1Sc(ccc(S(Nc(ccc(OC)c2)c2OC)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C17H18N2O5S2/c1-10-17(20)18-14-9-12(5-7-16(14)25-10)26(21,22)19-13-6-4-11(23-2)8-15(13)24-3/h4-10,19H,1-3H3,(H,18,20)/t10-/m1/s1

InChI Key

AMIUMMMKJWSZNE-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD14854443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.761

Distribution Coefficient, logD

2.116

Water Solubility, LogSw

-3.57

Polar Surface Area

80.242

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

-4.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

E465-0552 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E465-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E465-0552?
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What is the minimum amount of E465-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E465-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E465-0552
  • 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 E465-0552 available by request