K603-0414 Screening compound: 2-[2-(methylsulfanyl)phenyl]-octahydro-1H-isoindole-1,3-dione

K603-0414 Screening compound: 2-[2-(methylsulfanyl)phenyl]-octahydro-1H-isoindole-1,3-dione
K603-0414 Screening compound: 2-[2-(methylsulfanyl)phenyl]-octahydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K603-0414
2-[2-(methylsulfanyl)phenyl]-octahydro-1H-isoindole-1,3-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

K603-0414

Molecular Formula

C15H17NO2S (C15 H17 NO2 S)

Compound Name

2-[2-(methylsulfanyl)phenyl]-octahydro-1H-isoindole-1,3-dione

IUPAC name

2-[2-(methylsulfanyl)phenyl]-octahydro-1H-isoindole-13-dione

SMILES

CSc(cccc1)c1N(C(C1C2CCCC1)=O)C2=O

InChI

InChI=1S/C15H17NO2S/c1-19-13-9-5-4-8-12(13)16-14(17)10-6-2-3-7-11(10)15(16)18/h4-5,8-11H,2-3,6-7H2,1H3

InChI Key

FOGNVPXGCJTMTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.354

Distribution Coefficient, logD

2.354

Water Solubility, LogSw

-2.77

Polar Surface Area

28.771

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

-3.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.70

K603-0414 in Drug Discovery

Included in Screening Libraries

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

Cysteine Proteases Inhibitors Library (7839 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K603-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K603-0414?
Check Price and Availability of K603-0414, 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 K603-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K603-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K603-0414
  • 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 K603-0414 available by request