3966-3074 Screening compound: 4,5-dimethyl 2-[6-chloro-1-(3-methoxybenzoyl)-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate

3966-3074 Screening compound: 4,5-dimethyl 2-[6-chloro-1-(3-methoxybenzoyl)-2,2-dimethyl-3-sulfanylidene-1,2,3,4-tetrahydroquinolin-4-ylidene]-2H-1,3-dithiole-4,5-dicarboxylate
3966-3074 Screening compound: 4,5-dimethyl 2-[6-chloro-1-(3-methoxybenzoyl)-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 3966-3074
4,5-dimethyl 2-[6-chloro-1-(3-methoxybenzoyl)-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

3966-3074

Molecular Formula

C26H22ClNO6S3 (C26 H22 ClNO6 S3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1=S)N(C(c2cc(OC)ccc2)=O)c(ccc(Cl)c2)c2C1=C1SC(C(OC)=O)=C(C(OC)=O)S1

InChI

InChI=1S/C26H22ClNO6S3/c1-26(2)21(35)18(25-36-19(23(30)33-4)20(37-25)24(31)34-5)16-12-14(27)9-10-17(16)28(26)22(29)13-7-6-8-15(11-13)32-3/h6-12H,1-5H3

InChI Key

UTHMBJJHTSWDPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02236372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.11

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.933

Distribution Coefficient, logD

5.933

Water Solubility, LogSw

-6.08

Polar Surface Area

64.326

Acid Dissociation Constant (pKa)

29.90

Base Dissociation Constant (pKb)

-6.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

3966-3074 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 3966-3074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3966-3074?
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What is the minimum amount of 3966-3074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3966-3074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3966-3074
  • 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 3966-3074 available by request