4477-0008 Screening compound: 4,5-diethyl 2-(1,2,2,6-tetramethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate

4477-0008 Screening compound: 4,5-diethyl 2-(1,2,2,6-tetramethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
4477-0008 Screening compound: 4,5-diethyl 2-(1,2,2,6-tetramethyl-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 4477-0008
4,5-diethyl 2-(1,2,2,6-tetramethyl-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

4477-0008

Molecular Formula

C22H25NO4S3 (C22 H25 NO4 S3)

Compound Name

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

IUPAC name

45-diethyl 2-(1226-tetramethyl-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene)-2H-13-dithiole-45-dicarboxylate

SMILES

CCOC(C(S1)=C(C(OCC)=O)SC1=C1c(cc(C)cc2)c2N(C)C(C)(C)C1=S)=O

InChI

InChI=1S/C22H25NO4S3/c1-7-26-19(24)16-17(20(25)27-8-2)30-21(29-16)15-13-11-12(3)9-10-14(13)23(6)22(4,5)18(15)28/h9-11H,7-8H2,1-6H3

InChI Key

PSJMVPPPADLXFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00568066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.491

Distribution Coefficient, logD

5.491

Water Solubility, LogSw

-5.38

Polar Surface Area

43.395

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with 4477-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-0008?
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What is the minimum amount of 4477-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-0008
  • 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 4477-0008 available by request