E465-0095 Screening compound: 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

E465-0095 Screening compound: 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
E465-0095 Screening compound: 6-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E465-0095
6-(1,2,3,4-tetrahydroisoquinoline-2-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

E465-0095

Molecular Formula

C17H16N2O3S2 (C17 H16 N2 O3 S2)

Compound Name

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

IUPAC name

6-(1234-tetrahydroisoquinoline-2-sulfonyl)-34-dihydro-2H-14-benzothiazin-3-one

SMILES

O=C1Nc(cc(cc2)S(N(CC3)Cc4c3cccc4)(=O)=O)c2SC1

InChI

InChI=1S/C17H16N2O3S2/c20-17-11-23-16-6-5-14(9-15(16)18-17)24(21,22)19-8-7-12-3-1-2-4-13(12)10-19/h1-6,9H,7-8,10-11H2,(H,18,20)

InChI Key

CAWGFVQUVKVBMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14854349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

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

2.639

Distribution Coefficient, logD

2.639

Water Solubility, LogSw

-3.16

Polar Surface Area

56.432

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

-4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

E465-0095 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E465-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E465-0095?
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What is the minimum amount of E465-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E465-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E465-0095
  • 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 E465-0095 available by request