6972-0195 Screening compound: 3-(pentylamino)-1H-1,2-benzisothiazole-1,1-dione

6972-0195 Screening compound: 3-(pentylamino)-1H-1,2-benzisothiazole-1,1-dione
6972-0195 Screening compound: 3-(pentylamino)-1H-1,2-benzisothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6972-0195
3-(pentylamino)-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

6972-0195

Molecular Formula

C12H16N2O2S (C12 H16 N2 O2 S)

Compound Name

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

IUPAC name

3-(pentylamino)-1lambda62-benzothiazole-11-dione

SMILES

CCCCCNC(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C12H16N2O2S/c1-2-3-6-9-13-12-10-7-4-5-8-11(10)17(15,16)14-12/h4-5,7-8H,2-3,6,9H2,1H3,(H,13,14)

InChI Key

OOAQVATWIGRRBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04991156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.218

Distribution Coefficient, logD

2.218

Water Solubility, LogSw

-2.84

Polar Surface Area

52.280

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

6972-0195 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6972-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6972-0195?
Check Price and Availability of 6972-0195, 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 6972-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6972-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6972-0195
  • 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 6972-0195 available by request