Y020-5049 Screening compound: 4,5-diethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate

Y020-5049 Screening compound: 4,5-diethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Y020-5049 Screening compound: 4,5-diethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-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 Y020-5049
4,5-diethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-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

Y020-5049

Molecular Formula

C26H31NO6S3 (C26 H31 NO6 S3)

Compound Name

4,5-diethyl 2-(1-butanoyl-6-ethoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate

IUPAC name

45-diethyl 2-(1-butanoyl-6-ethoxy-22-dimethyl-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene)-2H-13-dithiole-45-dicarboxylate

SMILES

CCCC(N(C(C)(C)C1=S)c(ccc(OCC)c2)c2C1=C1SC(C(OCC)=O)=C(C(OCC)=O)S1)=O

InChI

InChI=1S/C26H31NO6S3/c1-7-11-18(28)27-17-13-12-15(31-8-2)14-16(17)19(22(34)26(27,5)6)25-35-20(23(29)32-9-3)21(36-25)24(30)33-10-4/h12-14H,7-11H2,1-6H3

InChI Key

IIFUIRSXYJHMKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.73

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.230

Distribution Coefficient, logD

6.230

Water Solubility, LogSw

-5.59

Polar Surface Area

62.810

Acid Dissociation Constant (pKa)

23.46

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

Y020-5049 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 Y020-5049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5049?
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What is the minimum amount of Y020-5049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5049
  • 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 Y020-5049 available by request