3389-1358 Screening compound: 4,5-dimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2,7-trimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate

3389-1358 Screening compound: 4,5-dimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2,7-trimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
3389-1358 Screening compound: 4,5-dimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2,7-trimethyl-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 3389-1358
4,5-dimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2,7-trimethyl-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

3389-1358

Molecular Formula

C26H21Cl2NO5S3 (C26 H21 Cl2 NO5 S3)

Compound Name

4,5-dimethyl 2-[1-(2,4-dichlorobenzoyl)-2,2,7-trimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate

IUPAC name

45-dimethyl 2-[1-(24-dichlorobenzoyl)-227-trimethyl-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene]-2H-13-dithiole-45-dicarboxylate

SMILES

CC(C)(C1=S)N(C(c(ccc(Cl)c2)c2Cl)=O)c(cc(C)cc2)c2C1=C1SC(C(OC)=O)=C(C(OC)=O)S1

InChI

InChI=1S/C26H21Cl2NO5S3/c1-12-6-8-15-17(10-12)29(22(30)14-9-7-13(27)11-16(14)28)26(2,3)21(35)18(15)25-36-19(23(31)33-4)20(37-25)24(32)34-5/h6-11H,1-5H3

InChI Key

BKEQRWNPXKGDAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01171543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

594.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.684

Distribution Coefficient, logD

6.684

Water Solubility, LogSw

-6.49

Polar Surface Area

56.782

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-6.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

3389-1358 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 3389-1358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-1358?
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What is the minimum amount of 3389-1358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-1358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-1358
  • 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 3389-1358 available by request