0083-0041 Screening compound: 2-methyl-4H-thiochromen-4-one

0083-0041 Screening compound: 2-methyl-4H-thiochromen-4-one
0083-0041 Screening compound: 2-methyl-4H-thiochromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0083-0041
2-methyl-4H-thiochromen-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

0083-0041

Molecular Formula

C10H8OS (C10 H8 OS)

Compound Name

2-methyl-4H-thiochromen-4-one

IUPAC name

2-methyl-4H-thiochromen-4-one

SMILES

CC(Sc1c2cccc1)=CC2=O

InChI

InChI=1S/C10H8OS/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3

InChI Key

MGMTVGPDPYFNAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00228052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

176.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

2.678

Distribution Coefficient, logD

2.678

Water Solubility, LogSw

-3.32

Polar Surface Area

13.407

Acid Dissociation Constant (pKa)

29.37

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

0083-0041 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0083-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0083-0041?
Check Price and Availability of 0083-0041, 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 0083-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0083-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0083-0041
  • 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 0083-0041 available by request