8012-2458 Screening compound: 3-(cyclododecylamino)-1H-1,2-benzisothiazole-1,1-dione

8012-2458 Screening compound: 3-(cyclododecylamino)-1H-1,2-benzisothiazole-1,1-dione
8012-2458 Screening compound: 3-(cyclododecylamino)-1H-1,2-benzisothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2458
3-(cyclododecylamino)-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

8012-2458

Molecular Formula

C19H28N2O2S (C19 H28 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=S(c1c2cccc1)(N=C2NC1CCCCCCCCCCC1)=O

InChI

InChI=1S/C19H28N2O2S/c22-24(23)18-15-11-10-14-17(18)19(21-24)20-16-12-8-6-4-2-1-3-5-7-9-13-16/h10-11,14-16H,1-9,12-13H2,(H,20,21)

InChI Key

CKQBMTMTQYXULD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02944549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.51

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

5.302

Distribution Coefficient, logD

5.302

Water Solubility, LogSw

-5.53

Polar Surface Area

52.223

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

8012-2458 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune 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 8012-2458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2458?
Check Price and Availability of 8012-2458, 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 8012-2458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2458
  • 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 8012-2458 available by request