2932-0358 Screening compound: 4,5-dimethyl 2-(2,2-dimethyl-1-propyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate

2932-0358 Screening compound: 4,5-dimethyl 2-(2,2-dimethyl-1-propyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
2932-0358 Screening compound: 4,5-dimethyl 2-(2,2-dimethyl-1-propyl-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 2932-0358
4,5-dimethyl 2-(2,2-dimethyl-1-propyl-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

2932-0358

Molecular Formula

C21H23NO4S3 (C21 H23 NO4 S3)

Compound Name

4,5-dimethyl 2-(2,2-dimethyl-1-propyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate

IUPAC name

45-dimethyl 2-(22-dimethyl-1-propyl-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene)-2H-13-dithiole-45-dicarboxylate

SMILES

CCCN(C(C)(C)C1=S)c(cccc2)c2C1=C1SC(C(OC)=O)=C(C(OC)=O)S1

InChI

InChI=1S/C21H23NO4S3/c1-6-11-22-13-10-8-7-9-12(13)14(17(27)21(22,2)3)20-28-15(18(23)25-4)16(29-20)19(24)26-5/h7-10H,6,11H2,1-5H3

InChI Key

SYYWPNCFTAGNOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01565212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.62

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

5.096

Distribution Coefficient, logD

5.096

Water Solubility, LogSw

-4.88

Polar Surface Area

44.448

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 2932-0358 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 2932-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2932-0358
  • 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 2932-0358 available by request