3389-0804 Screening compound: 4,5-dimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate

3389-0804 Screening compound: 4,5-dimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
3389-0804 Screening compound: 4,5-dimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-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 3389-0804
4,5-dimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-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

3389-0804

Molecular Formula

C24H27NO5S3 (C24 H27 NO5 S3)

Compound Name

4,5-dimethyl 2-[2,2,6,7-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate

IUPAC name

45-dimethyl 2-[2267-tetramethyl-1-(2-methylpropanoyl)-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene]-2H-13-dithiole-45-dicarboxylate

SMILES

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

InChI

InChI=1S/C24H27NO5S3/c1-11(2)20(26)25-15-10-13(4)12(3)9-14(15)16(19(31)24(25,5)6)23-32-17(21(27)29-7)18(33-23)22(28)30-8/h9-11H,1-8H3

InChI Key

UCSVKRBSUJCYBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01036903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.68

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

5.664

Distribution Coefficient, logD

5.664

Water Solubility, LogSw

-5.50

Polar Surface Area

57.054

Acid Dissociation Constant (pKa)

21.92

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

3389-0804 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 3389-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3389-0804?
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What is the minimum amount of 3389-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3389-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3389-0804
  • 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 3389-0804 available by request