E465-0583 Screening compound: 2-methyl-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

E465-0583 Screening compound: 2-methyl-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
E465-0583 Screening compound: 2-methyl-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E465-0583
2-methyl-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

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

E465-0583

Molecular Formula

C13H16N2O3S2 (C13 H16 N2 O3 S2)

Compound Name

2-methyl-6-(pyrrolidine-1-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

2-methyl-6-(pyrrolidine-1-sulfonyl)-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CC1Sc(ccc(S(N2CCCC2)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C13H16N2O3S2/c1-9-13(16)14-11-8-10(4-5-12(11)19-9)20(17,18)15-6-2-3-7-15/h4-5,8-9H,2-3,6-7H2,1H3,(H,14,16)/t9-/m1/s1

InChI Key

CCQDLWQIWPWBFY-SECBINFHSA-N

MDL Number (MFCD)

MFCD14854462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.090

Distribution Coefficient, logD

2.090

Water Solubility, LogSw

-2.99

Polar Surface Area

57.193

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

E465-0583 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with E465-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E465-0583?
Check Price and Availability of E465-0583, 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 E465-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E465-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E465-0583
  • 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 E465-0583 available by request