Y020-5047 Screening compound: 4,5-diethyl 2-(2,2,6-trimethyl-1-pentanoyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate

Y020-5047 Screening compound: 4,5-diethyl 2-(2,2,6-trimethyl-1-pentanoyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
Y020-5047 Screening compound: 4,5-diethyl 2-(2,2,6-trimethyl-1-pentanoyl-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 Y020-5047
4,5-diethyl 2-(2,2,6-trimethyl-1-pentanoyl-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

Y020-5047

Molecular Formula

C26H31NO5S3 (C26 H31 NO5 S3)

Compound Name

4,5-diethyl 2-(2,2,6-trimethyl-1-pentanoyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate

IUPAC name

45-diethyl 2-(226-trimethyl-1-pentanoyl-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene)-2H-13-dithiole-45-dicarboxylate

SMILES

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

InChI

InChI=1S/C26H31NO5S3/c1-7-10-11-18(28)27-17-13-12-15(4)14-16(17)19(22(33)26(27,5)6)25-34-20(23(29)31-8-2)21(35-25)24(30)32-9-3/h12-14H,7-11H2,1-6H3

InChI Key

NIDRYZKGUOHRKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.73

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.435

Distribution Coefficient, logD

6.435

Water Solubility, LogSw

-5.64

Polar Surface Area

55.686

Acid Dissociation Constant (pKa)

23.17

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with Y020-5047 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5047
  • 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 Y020-5047 available by request