6972-0198 Screening compound: 3-(cycloheptylamino)-1H-1,2-benzisothiazole-1,1-dione

6972-0198 Screening compound: 3-(cycloheptylamino)-1H-1,2-benzisothiazole-1,1-dione
6972-0198 Screening compound: 3-(cycloheptylamino)-1H-1,2-benzisothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6972-0198
3-(cycloheptylamino)-1H-1,2-benzisothiazole-1,1-dione

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

6972-0198

Molecular Formula

C14H18N2O2S (C14 H18 N2 O2 S)

Compound Name

3-(cycloheptylamino)-1H-1,2-benzisothiazole-1,1-dione

IUPAC name

n/a

SMILES

O=S(c1c2cccc1)(N=C2NC1CCCCCC1)=O

InChI

InChI=1S/C14H18N2O2S/c17-19(18)13-10-6-5-9-12(13)14(16-19)15-11-7-3-1-2-4-8-11/h5-6,9-11H,1-4,7-8H2,(H,15,16)

InChI Key

OQUCYBVXLSPKPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04991157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.822

Distribution Coefficient, logD

2.822

Water Solubility, LogSw

-3.65

Polar Surface Area

52.223

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

6972-0198 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6972-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6972-0198?
Check Price and Availability of 6972-0198, 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 6972-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6972-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6972-0198
  • 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 6972-0198 available by request