Y020-4962 Screening compound: 4,5-diethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate

Y020-4962 Screening compound: 4,5-diethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Y020-4962 Screening compound: 4,5-diethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-4962
4,5-diethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-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

Y020-4962

Molecular Formula

C24H27NO5S3 (C24 H27 NO5 S3)

Compound Name

4,5-diethyl 2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate

IUPAC name

45-diethyl 2-[22-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene]-2H-13-dithiole-45-dicarboxylate

SMILES

CCOC(C(S1)=C(C(OCC)=O)SC1=C(C(C1(C)C)=S)c(cccc2)c2N1C(C(C)C)=O)=O

InChI

InChI=1S/C24H27NO5S3/c1-7-29-21(27)17-18(22(28)30-8-2)33-23(32-17)16-14-11-9-10-12-15(14)25(20(26)13(3)4)24(5,6)19(16)31/h9-13H,7-8H2,1-6H3

InChI Key

MDBKTSVOKAZQCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01156134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.68

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.472

Distribution Coefficient, logD

5.472

Water Solubility, LogSw

-5.45

Polar Surface Area

56.213

Acid Dissociation Constant (pKa)

21.92

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

Y020-4962 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y020-4962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-4962?
Check Price and Availability of Y020-4962, 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 Y020-4962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-4962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-4962
  • 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 Y020-4962 available by request