E465-0565 Screening compound: ethyl 4-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperazine-1-carboxylate

E465-0565 Screening compound: ethyl 4-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperazine-1-carboxylate
E465-0565 Screening compound: ethyl 4-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E465-0565
ethyl 4-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperazine-1-carboxylate

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

E465-0565

Molecular Formula

C16H21N3O5S2 (C16 H21 N3 O5 S2)

Compound Name

ethyl 4-[(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-6-yl)sulfonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[(2-methyl-3-oxo-34-dihydro-2H-14-benzothiazin-6-yl)sulfonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1S(c(cc1)cc(N2)c1SC(C)C2=O)(=O)=O)=O

InChI

InChI=1S/C16H21N3O5S2/c1-3-24-16(21)18-6-8-19(9-7-18)26(22,23)12-4-5-14-13(10-12)17-15(20)11(2)25-14/h4-5,10-11H,3,6-9H2,1-2H3,(H,17,20)/t11-/m1/s1

InChI Key

DCTQYIMKQHBZBE-LLVKDONJSA-N

MDL Number (MFCD)

MFCD14854452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.045

Distribution Coefficient, logD

2.045

Water Solubility, LogSw

-2.96

Polar Surface Area

79.607

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E465-0565 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

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 E465-0565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E465-0565?
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What is the minimum amount of E465-0565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E465-0565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E465-0565
  • 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 E465-0565 available by request