E465-0589 Screening compound: 6-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one

E465-0589 Screening compound: 6-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one
E465-0589 Screening compound: 6-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E465-0589
6-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-methyl-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

E465-0589

Molecular Formula

C21H25N3O3S2 (C21 H25 N3 O3 S2)

Compound Name

6-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

6-{[4-(23-dimethylphenyl)piperazin-1-yl]sulfonyl}-2-methyl-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CC1Sc(ccc(S(N(CC2)CCN2c2c(C)c(C)ccc2)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C21H25N3O3S2/c1-14-5-4-6-19(15(14)2)23-9-11-24(12-10-23)29(26,27)17-7-8-20-18(13-17)22-21(25)16(3)28-20/h4-8,13,16H,9-12H2,1-3H3,(H,22,25)/t16-/m1/s1

InChI Key

GBZKLPYTXPFLLA-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14854465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.266

Distribution Coefficient, logD

4.266

Water Solubility, LogSw

-4.21

Polar Surface Area

59.786

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

E465-0589 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Purinergic Library (3321 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
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E465-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E465-0589?
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What is the minimum amount of E465-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E465-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E465-0589
  • 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 E465-0589 available by request