6415-1530 Screening compound: 2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-1H-1,2-benzisothiazole-1,1,3(2H)-trione

6415-1530 Screening compound: 2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-1H-1,2-benzisothiazole-1,1,3(2H)-trione
6415-1530 Screening compound: 2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-1H-1,2-benzisothiazole-1,1,3(2H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6415-1530
2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-1H-1,2-benzisothiazole-1,1,3(2H)-trione

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

6415-1530

Molecular Formula

C18H16N2O4S (C18 H16 N2 O4 S)

Compound Name

2-{2-[3,4-dihydro-2(1H)-isoquinolinyl]-2-oxoethyl}-1H-1,2-benzisothiazole-1,1,3(2H)-trione

IUPAC name

2-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-23-dihydro-1lambda62-benzothiazole-113-trione

SMILES

O=C(CN(C(c1c2cccc1)=O)S2(=O)=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C18H16N2O4S/c21-17(19-10-9-13-5-1-2-6-14(13)11-19)12-20-18(22)15-7-3-4-8-16(15)25(20,23)24/h1-8H,9-12H2

InChI Key

QBITYASZVNBMFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03270447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.392

Distribution Coefficient, logD

1.392

Water Solubility, LogSw

-2.35

Polar Surface Area

61.238

Acid Dissociation Constant (pKa)

21.68

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

6415-1530 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with 6415-1530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6415-1530?
Check Price and Availability of 6415-1530, 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 6415-1530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6415-1530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6415-1530
  • 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 6415-1530 available by request