0104-0080 Screening compound: 2-(dodecylsulfanyl)cyclohexa-2,5-diene-1,4-dione

0104-0080 Screening compound: 2-(dodecylsulfanyl)cyclohexa-2,5-diene-1,4-dione
0104-0080 Screening compound: 2-(dodecylsulfanyl)cyclohexa-2,5-diene-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0104-0080
2-(dodecylsulfanyl)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

0104-0080

Molecular Formula

C18H28O2S (C18 H28 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCCCCCCCSC(C(C=C1)=O)=CC1=O

InChI

InChI=1S/C18H28O2S/c1-2-3-4-5-6-7-8-9-10-11-14-21-18-15-16(19)12-13-17(18)20/h12-13,15H,2-11,14H2,1H3

InChI Key

RIINWLSYFUDXFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00419257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.421

Distribution Coefficient, logD

6.421

Water Solubility, LogSw

-5.73

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

66.70

0104-0080 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0104-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0104-0080?
Check Price and Availability of 0104-0080, 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 0104-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0104-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0104-0080
  • 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 0104-0080 available by request