8009-4644 Screening compound: dimethyl 2-(2-phenyl-2-thioxoethylidene)-1,3-dithiole-4,5-dicarboxylate

8009-4644 Screening compound: dimethyl 2-(2-phenyl-2-thioxoethylidene)-1,3-dithiole-4,5-dicarboxylate
8009-4644 Screening compound: dimethyl 2-(2-phenyl-2-thioxoethylidene)-1,3-dithiole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4644
dimethyl 2-(2-phenyl-2-thioxoethylidene)-1,3-dithiole-4,5-dicarboxylate

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

8009-4644

Molecular Formula

C15H12O4S3 (C15 H12 O4 S3)

Compound Name

dimethyl 2-(2-phenyl-2-thioxoethylidene)-1,3-dithiole-4,5-dicarboxylate

IUPAC name

45-dimethyl 2-(2-phenyl-2-sulfanylideneethylidene)-2H-13-dithiole-45-dicarboxylate

SMILES

COC(C(S1)=C(C(OC)=O)SC1=CC(c1ccccc1)=S)=O

InChI

InChI=1S/C15H12O4S3/c1-18-14(16)12-13(15(17)19-2)22-11(21-12)8-10(20)9-6-4-3-5-7-9/h3-8H,1-2H3

InChI Key

QAOXKUTURKAIPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01821455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.065

Distribution Coefficient, logD

4.065

Water Solubility, LogSw

-4.23

Polar Surface Area

42.873

Acid Dissociation Constant (pKa)

34.04

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

References: we are preparing a list of scientific research reports with 8009-4644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4644?
Check Price and Availability of 8009-4644, 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 8009-4644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4644
  • 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 8009-4644 available by request