Y020-5282 Screening compound: 4,5-dimethyl 2-[1-(2-ethoxy-2-oxoacetyl)-2,2,8-trimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate

Y020-5282 Screening compound: 4,5-dimethyl 2-[1-(2-ethoxy-2-oxoacetyl)-2,2,8-trimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
Y020-5282 Screening compound: 4,5-dimethyl 2-[1-(2-ethoxy-2-oxoacetyl)-2,2,8-trimethyl-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 Y020-5282
4,5-dimethyl 2-[1-(2-ethoxy-2-oxoacetyl)-2,2,8-trimethyl-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

Y020-5282

Molecular Formula

C23H23NO7S3 (C23 H23 NO7 S3)

Compound Name

4,5-dimethyl 2-[1-(2-ethoxy-2-oxoacetyl)-2,2,8-trimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate

IUPAC name

45-dimethyl 2-[1-(2-ethoxy-2-oxoacetyl)-228-trimethyl-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene]-2H-13-dithiole-45-dicarboxylate

SMILES

CCOC(C(N(C(C)(C)C1=S)c(c(C)ccc2)c2C1=C1SC(C(OC)=O)=C(C(OC)=O)S1)=O)=O

InChI

InChI=1S/C23H23NO7S3/c1-7-31-21(28)18(25)24-14-11(2)9-8-10-12(14)13(17(32)23(24,3)4)22-33-15(19(26)29-5)16(34-22)20(27)30-6/h8-10H,7H2,1-6H3

InChI Key

DIAGLVDZPOALBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02816930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.64

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.323

Distribution Coefficient, logD

4.323

Water Solubility, LogSw

-4.45

Polar Surface Area

78.965

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with Y020-5282 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y020-5282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5282
  • 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 Y020-5282 available by request