8006-4292 Screening compound: 1-(butyrylsulfanyl)-4,4,8-trimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium

8006-4292 Screening compound: 1-(butyrylsulfanyl)-4,4,8-trimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium
8006-4292 Screening compound: 1-(butyrylsulfanyl)-4,4,8-trimethyl-4H,5H-[1,2]dithiolo[3,4-c]quinolin-2-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4292
1-(butyrylsulfanyl)-4,4,8-trimethyl-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

8006-4292

Molecular Formula

C17H20NOS3 (C17 H20 NOS3)

Compound Name

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

IUPAC name

1-(butanoylsulfanyl)-448-trimethyl-4H5H-2lambda4-[12]dithiolo[34-c]quinolin-2-ylium

SMILES

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

InChI

InChI=1S/C17H20NOS3/c1-5-6-13(19)20-16-14-11-9-10(2)7-8-12(11)18-17(3,4)15(14)21-22-16/h7-9,18H,5-6H2,1-4H3/q+1

InChI Key

WOPNFOZXRIMMAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00643453

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

350.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.568

Distribution Coefficient, logD

5.568

Water Solubility, LogSw

-5.32

Polar Surface Area

24.662

Acid Dissociation Constant (pKa)

18.06

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

References: we are preparing a list of scientific research reports with 8006-4292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4292?
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What is the minimum amount of 8006-4292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4292
  • 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 8006-4292 available by request