0278-0058 Screening compound: 5,6-dimethyl-2,3-dihydro-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetraone

0278-0058 Screening compound: 5,6-dimethyl-2,3-dihydro-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetraone
0278-0058 Screening compound: 5,6-dimethyl-2,3-dihydro-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetraone alternative view

Chemical Structure Depiction of ChemDiv screening compound 0278-0058
5,6-dimethyl-2,3-dihydro-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetraone

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

0278-0058

Molecular Formula

C6H10O4S2 (C6 H10 O4 S2)

Compound Name

5,6-dimethyl-2,3-dihydro-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetraone

IUPAC name

56-dimethyl-23-dihydro-1lambda64lambda6-dithiine-1144-tetrone

SMILES

CC(S(CC1)(=O)=O)=C(C)S1(=O)=O

InChI

InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3

InChI Key

PHVNLLCAQHGNKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00057556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.219

Distribution Coefficient, logD

-0.219

Water Solubility, LogSw

-0.66

Polar Surface Area

57.482

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

0278-0058 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0278-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0278-0058?
Check Price and Availability of 0278-0058, 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 0278-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0278-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0278-0058
  • 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 0278-0058 available by request