Y020-4956 Screening compound: ethyl 2-[(4Z)-1-butanoyl-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-5-phenyl-2H-1,3-dithiole-4-carboxylate

Y020-4956 Screening compound: ethyl 2-[(4Z)-1-butanoyl-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-5-phenyl-2H-1,3-dithiole-4-carboxylate
Y020-4956 Screening compound: ethyl 2-[(4Z)-1-butanoyl-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-5-phenyl-2H-1,3-dithiole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-4956
ethyl 2-[(4Z)-1-butanoyl-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-5-phenyl-2H-1,3-dithiole-4-carboxylate

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

Y020-4956

Molecular Formula

C27H27NO3S3 (C27 H27 NO3 S3)

Compound Name

ethyl 2-[(4Z)-1-butanoyl-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-5-phenyl-2H-1,3-dithiole-4-carboxylate

IUPAC name

ethyl 2-[(4Z)-1-butanoyl-22-dimethyl-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene]-5-phenyl-2H-13-dithiole-4-carboxylate

SMILES

CCCC(N(C(C)(C)C1=S)c(cccc2)c2/C1=C1\SC(c2ccccc2)=C(C(OCC)=O)S1)=O

InChI

InChI=1S/C27H27NO3S3/c1-5-12-20(29)28-19-16-11-10-15-18(19)21(24(32)27(28,3)4)26-33-22(17-13-8-7-9-14-17)23(34-26)25(30)31-6-2/h7-11,13-16H,5-6,12H2,1-4H3

InChI Key

OQUFEZWXAWKYMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01138015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.930

Distribution Coefficient, logD

6.930

Water Solubility, LogSw

-5.83

Polar Surface Area

34.661

Acid Dissociation Constant (pKa)

23.46

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

Y020-4956 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 Y020-4956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-4956?
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What is the minimum amount of Y020-4956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-4956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-4956
  • 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 Y020-4956 available by request