8010-1646 Screening compound: 4,5-dimethyl 2-(1-benzoyl-2,2,6-trimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate

8010-1646 Screening compound: 4,5-dimethyl 2-(1-benzoyl-2,2,6-trimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene)-2H-1,3-dithiole-4,5-dicarboxylate
8010-1646 Screening compound: 4,5-dimethyl 2-(1-benzoyl-2,2,6-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 8010-1646
4,5-dimethyl 2-(1-benzoyl-2,2,6-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

8010-1646

Molecular Formula

C26H23NO5S3 (C26 H23 NO5 S3)

Compound Name

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

IUPAC name

45-dimethyl 2-(1-benzoyl-226-trimethyl-3-sulfanylidene-1234-tetrahydroquinolin-4-ylidene)-2H-13-dithiole-45-dicarboxylate

SMILES

CC(C)(C1=S)N(C(c2ccccc2)=O)c(ccc(C)c2)c2C1=C1SC(C(OC)=O)=C(C(OC)=O)S1

InChI

InChI=1S/C26H23NO5S3/c1-14-11-12-17-16(13-14)18(25-34-19(23(29)31-4)20(35-25)24(30)32-5)21(33)26(2,3)27(17)22(28)15-9-7-6-8-10-15/h6-13H,1-5H3

InChI Key

OXYRIIRRDFNROV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01559813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.67

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

5.576

Distribution Coefficient, logD

5.576

Water Solubility, LogSw

-5.59

Polar Surface Area

56.782

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

8010-1646 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 8010-1646 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8010-1646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1646
  • 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 8010-1646 available by request