8006-4293 Screening compound: 1-(butyrylsulfanyl)-8-methoxy-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium

8006-4293 Screening compound: 1-(butyrylsulfanyl)-8-methoxy-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium
8006-4293 Screening compound: 1-(butyrylsulfanyl)-8-methoxy-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4293
1-(butyrylsulfanyl)-8-methoxy-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium

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

8006-4293

Molecular Formula

C17H20NO2S3 (C17 H20 NO2 S3)

Compound Name

1-(butyrylsulfanyl)-8-methoxy-4,4-dimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium

IUPAC name

1-(butanoylsulfanyl)-8-methoxy-44-dimethyl-4H5H-2lambda4-[12]dithiolo[34-c]quinolin-2-ylium

SMILES

CCCC(Sc1[s+]sc2c1-c(cc(cc1)OC)c1NC2(C)C)=O

InChI

InChI=1S/C17H20NO2S3/c1-5-6-13(19)21-16-14-11-9-10(20-4)7-8-12(11)18-17(2,3)15(14)22-23-16/h7-9,18H,5-6H2,1-4H3/q+1

InChI Key

VMYBJHJRBYJWNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00643454

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

366.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.277

Distribution Coefficient, logD

5.277

Water Solubility, LogSw

-5.23

Polar Surface Area

32.206

Acid Dissociation Constant (pKa)

18.06

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 8006-4293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4293?
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What is the minimum amount of 8006-4293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4293
  • 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 8006-4293 available by request