E465-0587 Screening compound: 6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one

E465-0587 Screening compound: 6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one
E465-0587 Screening compound: 6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E465-0587
6-[(4-cyclohexylpiperazin-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

E465-0587

Molecular Formula

C19H27N3O3S2 (C19 H27 N3 O3 S2)

Compound Name

6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-2-methyl-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-2-methyl-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CC1Sc(ccc(S(N(CC2)CCN2C2CCCCC2)(=O)=O)c2)c2NC1=O

InChI

InChI=1S/C19H27N3O3S2/c1-14-19(23)20-17-13-16(7-8-18(17)26-14)27(24,25)22-11-9-21(10-12-22)15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H,20,23)/t14-/m1/s1

InChI Key

MTQJMUCGJWYBEF-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14854464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.085

Water Solubility, LogSw

-3.46

Polar Surface Area

59.920

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

E465-0587 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E465-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E465-0587?
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What is the minimum amount of E465-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E465-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E465-0587
  • 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 E465-0587 available by request