2932-0371 Screening compound: 4,5-dimethyl 2-(6-ethoxy-2,2-dimethyl-1-propanoyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate

2932-0371 Screening compound: 4,5-dimethyl 2-(6-ethoxy-2,2-dimethyl-1-propanoyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
2932-0371 Screening compound: 4,5-dimethyl 2-(6-ethoxy-2,2-dimethyl-1-propanoyl-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 2932-0371
4,5-dimethyl 2-(6-ethoxy-2,2-dimethyl-1-propanoyl-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

2932-0371

Molecular Formula

C23H25NO6S3 (C23 H25 NO6 S3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H25NO6S3/c1-7-15(25)24-14-10-9-12(30-8-2)11-13(14)16(19(31)23(24,3)4)22-32-17(20(26)28-5)18(33-22)21(27)29-6/h9-11H,7-8H2,1-6H3

InChI Key

KIFBQCGUXPICAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01559602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.65

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.839

Distribution Coefficient, logD

4.839

Water Solubility, LogSw

-4.71

Polar Surface Area

63.650

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

2932-0371 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 2932-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2932-0371?
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What is the minimum amount of 2932-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2932-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2932-0371
  • 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 2932-0371 available by request