0104-0047 Screening compound: 2-(octadecylsulfanyl)cyclohexa-2,5-diene-1,4-dione

0104-0047 Screening compound: 2-(octadecylsulfanyl)cyclohexa-2,5-diene-1,4-dione
0104-0047 Screening compound: 2-(octadecylsulfanyl)cyclohexa-2,5-diene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0104-0047
2-(octadecylsulfanyl)cyclohexa-2,5-diene-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

0104-0047

Molecular Formula

C24H40O2S (C24 H40 O2 S)

Compound Name

2-(octadecylsulfanyl)cyclohexa-2,5-diene-1,4-dione

IUPAC name

2-(octadecylsulfanyl)cyclohexa-25-diene-14-dione

SMILES

CCCCCCCCCCCCCCCCCCSC(C(C=C1)=O)=CC1=O

InChI

InChI=1S/C24H40O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-24-21-22(25)18-19-23(24)26/h18-19,21H,2-17,20H2,1H3

InChI Key

MYMGKBLLSOGQDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00359150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

9.397

Distribution Coefficient, logD

9.397

Water Solubility, LogSw

-5.92

Polar Surface Area

27.028

Acid Dissociation Constant (pKa)

28.33

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

References: we are preparing a list of scientific research reports with 0104-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0104-0047?
Check Price and Availability of 0104-0047, 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 0104-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0104-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0104-0047
  • 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 0104-0047 available by request