8020-1905 Screening compound: 2-methyl-3-(octylsulfanyl)-1,4-dihydronaphthalene-1,4-dione

8020-1905 Screening compound: 2-methyl-3-(octylsulfanyl)-1,4-dihydronaphthalene-1,4-dione
8020-1905 Screening compound: 2-methyl-3-(octylsulfanyl)-1,4-dihydronaphthalene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1905
2-methyl-3-(octylsulfanyl)-1,4-dihydronaphthalene-1,4-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

8020-1905

Molecular Formula

C19H24O2S (C19 H24 O2 S)

Compound Name

2-methyl-3-(octylsulfanyl)-1,4-dihydronaphthalene-1,4-dione

IUPAC name

2-methyl-3-(octylsulfanyl)-14-dihydronaphthalene-14-dione

SMILES

CCCCCCCCSC(C(c1c2cccc1)=O)=C(C)C2=O

InChI

InChI=1S/C19H24O2S/c1-3-4-5-6-7-10-13-22-19-14(2)17(20)15-11-8-9-12-16(15)18(19)21/h8-9,11-12H,3-7,10,13H2,1-2H3

InChI Key

SAXFHZWUVDPCCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.238

Distribution Coefficient, logD

6.238

Water Solubility, LogSw

-5.48

Polar Surface Area

26.452

Acid Dissociation Constant (pKa)

28.33

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

8020-1905 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8020-1905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1905?
Check Price and Availability of 8020-1905, 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 8020-1905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1905
  • 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 8020-1905 available by request