5402-0409 Screening compound: dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-yliden)-1,3-dithiole-4,5-dicarboxylate

5402-0409 Screening compound: dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-yliden)-1,3-dithiole-4,5-dicarboxylate
5402-0409 Screening compound: dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-yliden)-1,3-dithiole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5402-0409
dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-yliden)-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

5402-0409

Molecular Formula

C22H19NO6S3 (C22 H19 NO6 S3)

Compound Name

dimethyl 2-(4,4,8,9-tetramethyl-1,2-dioxo-5-thioxo-1,2,4,5-tetrahydro-6H-pyrrolo[3,2,1-ij]quinolin-6-yliden)-1,3-dithiole-4,5-dicarboxylate

IUPAC name

45-dimethyl 2-{561111-tetramethyl-23-dioxo-10-sulfanylidene-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)-trien-9-ylidene}-2H-13-dithiole-45-dicarboxylate

SMILES

CC(C)(C(C(c1c2c(C3=O)c(C)c(C)c1)=C1SC(C(OC)=O)=C(C(OC)=O)S1)=S)N2C3=O

InChI

InChI=1S/C22H19NO6S3/c1-8-7-10-12(21-31-15(19(26)28-5)16(32-21)20(27)29-6)17(30)22(3,4)23-13(10)11(9(8)2)14(24)18(23)25/h7H,1-6H3

InChI Key

QAGJBLUDFXOSBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03300292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.59

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

4.278

Water Solubility, LogSw

-4.56

Polar Surface Area

72.297

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

5402-0409 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5402-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5402-0409?
Check Price and Availability of 5402-0409, 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 5402-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5402-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5402-0409
  • 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 5402-0409 available by request