8013-0248 Screening compound: 2-propyl-1lambda~6~-naphtho[1,8-cd]isothiazole-1,1(2H)-dione

8013-0248 Screening compound: 2-propyl-1lambda~6~-naphtho[1,8-cd]isothiazole-1,1(2H)-dione
8013-0248 Screening compound: 2-propyl-1lambda~6~-naphtho[1,8-cd]isothiazole-1,1(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0248
2-propyl-1lambda~6~-naphtho[1,8-cd]isothiazole-1,1(2H)-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

8013-0248

Molecular Formula

C13H13NO2S (C13 H13 NO2 S)

Compound Name

2-propyl-1lambda~6~-naphtho[1,8-cd]isothiazole-1,1(2H)-dione

IUPAC name

3-propyl-2lambda6-thia-3-azatricyclo[6.3.1.0^{412}]dodeca-1(12)46810-pentaene-22-dione

SMILES

CCCN(c1c(c2ccc3)c3ccc1)S2(=O)=O

InChI

InChI=1S/C13H13NO2S/c1-2-9-14-11-7-3-5-10-6-4-8-12(13(10)11)17(14,15)16/h3-8H,2,9H2,1H3

InChI Key

SYXCGDBAJXDIOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03235119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.921

Distribution Coefficient, logD

2.921

Water Solubility, LogSw

-3.60

Polar Surface Area

31.378

Acid Dissociation Constant (pKa)

27.41

Base Dissociation Constant (pKb)

-11.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8013-0248 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0248?
Check Price and Availability of 8013-0248, 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 8013-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0248
  • 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 8013-0248 available by request