8003-0046 Screening compound: 5-benzoyl-4,4,8-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

8003-0046 Screening compound: 5-benzoyl-4,4,8-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione
8003-0046 Screening compound: 5-benzoyl-4,4,8-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0046
5-benzoyl-4,4,8-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

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

8003-0046

Molecular Formula

C20H17NOS3 (C20 H17 NOS3)

Compound Name

5-benzoyl-4,4,8-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

IUPAC name

5-benzoyl-448-trimethyl-1H4H5H-[12]dithiolo[34-c]quinoline-1-thione

SMILES

CC1(C)N(C(c2ccccc2)=O)c(ccc(C)c2)c2C2=C1SSC2=S

InChI

InChI=1S/C20H17NOS3/c1-12-9-10-15-14(11-12)16-17(24-25-19(16)23)20(2,3)21(15)18(22)13-7-5-4-6-8-13/h4-11H,1-3H3

InChI Key

ARSVLBYNYWQBNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00293070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.854

Distribution Coefficient, logD

4.854

Water Solubility, LogSw

-4.69

Polar Surface Area

14.434

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8003-0046 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0046?
Check Price and Availability of 8003-0046, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8003-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0046
  • 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 8003-0046 available by request