3389-2739 Screening compound: 4,5-dimethyl 2-[1-(3-cyclohexylpropanoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate

3389-2739 Screening compound: 4,5-dimethyl 2-[1-(3-cyclohexylpropanoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
3389-2739 Screening compound: 4,5-dimethyl 2-[1-(3-cyclohexylpropanoyl)-6-methoxy-2,2-dimethyl-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 3389-2739
4,5-dimethyl 2-[1-(3-cyclohexylpropanoyl)-6-methoxy-2,2-dimethyl-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

3389-2739

Molecular Formula

C28H33NO6S3 (C28 H33 NO6 S3)

Compound Name

4,5-dimethyl 2-[1-(3-cyclohexylpropanoyl)-6-methoxy-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate

IUPAC name

45-dimethyl 2-[1-(3-cyclohexylpropanoyl)-6-methoxy-22-dimethyl-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene]-2H-13-dithiole-45-dicarboxylate

SMILES

CC(C)(C1=S)N(C(CCC2CCCCC2)=O)c(ccc(OC)c2)c2C1=C1SC(C(OC)=O)=C(C(OC)=O)S1

InChI

InChI=1S/C28H33NO6S3/c1-28(2)24(36)21(27-37-22(25(31)34-4)23(38-27)26(32)35-5)18-15-17(33-3)12-13-19(18)29(28)20(30)14-11-16-9-7-6-8-10-16/h12-13,15-16H,6-11,14H2,1-5H3

InChI Key

BYZRXWMBNOYYFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01559949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

575.77

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.548

Distribution Coefficient, logD

6.548

Water Solubility, LogSw

-5.67

Polar Surface Area

63.991

Acid Dissociation Constant (pKa)

23.49

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3389-2739 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 3389-2739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-2739?
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What is the minimum amount of 3389-2739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-2739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-2739
  • 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 3389-2739 available by request