1304-0008 Screening compound: 2H,5H,6H,7H-[1,3]dithiolo[4,5-b][1,4]dithiepine-2,6-dione

1304-0008 Screening compound: 2H,5H,6H,7H-[1,3]dithiolo[4,5-b][1,4]dithiepine-2,6-dione
1304-0008 Screening compound: 2H,5H,6H,7H-[1,3]dithiolo[4,5-b][1,4]dithiepine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1304-0008
2H,5H,6H,7H-[1,3]dithiolo[4,5-b][1,4]dithiepine-2,6-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

1304-0008

Molecular Formula

C6H4O2S4 (C6 H4 O2 S4)

Compound Name

2H,5H,6H,7H-[1,3]dithiolo[4,5-b][1,4]dithiepine-2,6-dione

IUPAC name

2H5H6H7H-[13]dithiolo[45-b][14]dithiepine-26-dione

SMILES

O=C(S1)SC(SC2)=C1SCC2=O

InChI

InChI=1S/C6H4O2S4/c7-3-1-9-4-5(10-2-3)12-6(8)11-4/h1-2H2

InChI Key

CFBZZQWUZNLDKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.265

Distribution Coefficient, logD

2.265

Water Solubility, LogSw

-1.84

Polar Surface Area

27.396

Acid Dissociation Constant (pKa)

26.47

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1304-0008 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1304-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1304-0008?
Check Price and Availability of 1304-0008, 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 1304-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1304-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1304-0008
  • 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 1304-0008 available by request