8330-0001 Screening compound: 2,2,6-trimethyl-2H,3H,4H,5H-thiopyrano[3,2-b]indol-4-one

8330-0001 Screening compound: 2,2,6-trimethyl-2H,3H,4H,5H-thiopyrano[3,2-b]indol-4-one
8330-0001 Screening compound: 2,2,6-trimethyl-2H,3H,4H,5H-thiopyrano[3,2-b]indol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8330-0001
2,2,6-trimethyl-2H,3H,4H,5H-thiopyrano[3,2-b]indol-4-one

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

8330-0001

Molecular Formula

C14H15NOS (C14 H15 NOS)

Compound Name

2,2,6-trimethyl-2H,3H,4H,5H-thiopyrano[3,2-b]indol-4-one

IUPAC name

226-trimethyl-2H3H4H5H-thiopyrano[32-b]indol-4-one

SMILES

CC(C)(CC1=O)Sc2c1[nH]c1c2cccc1C

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.481

Distribution Coefficient, logD

3.481

Water Solubility, LogSw

-3.81

Polar Surface Area

24.388

Acid Dissociation Constant (pKa)

16.40

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

8330-0001 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral HBV Library (10007 compounds)

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

Dark Chemical Matter Library (18430 compounds)

GPCR Targeted Library (31838 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8330-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8330-0001?
Check Price and Availability of 8330-0001, 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 8330-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8330-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8330-0001
  • 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 8330-0001 available by request