Y020-5584 Screening compound: dimethyl 2-(4,4,8-trimethyl-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

Y020-5584 Screening compound: dimethyl 2-(4,4,8-trimethyl-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
Y020-5584 Screening compound: dimethyl 2-(4,4,8-trimethyl-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 Y020-5584
dimethyl 2-(4,4,8-trimethyl-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

Y020-5584

Molecular Formula

C21H17NO6S3 (C21 H17 NO6 S3)

Compound Name

dimethyl 2-(4,4,8-trimethyl-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-{61111-trimethyl-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)cc(C)c1)=C1SC(C(OC)=O)=C(C(OC)=O)S1)=S)N2C3=O

InChI

InChI=1S/C21H17NO6S3/c1-8-6-9-11(20-30-14(18(25)27-4)15(31-20)19(26)28-5)16(29)21(2,3)22-12(9)10(7-8)13(23)17(22)24/h6-7H,1-5H3

InChI Key

QWCBLFNUHCJPQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03294723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

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

3.614

Distribution Coefficient, logD

3.614

Water Solubility, LogSw

-3.97

Polar Surface Area

72.297

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

Y020-5584 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 Y020-5584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5584?
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What is the minimum amount of Y020-5584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5584
  • 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 Y020-5584 available by request