4151-0080 Screening compound: 8-ethyl-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

4151-0080 Screening compound: 8-ethyl-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione
4151-0080 Screening compound: 8-ethyl-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4151-0080
8-ethyl-4,4-dimethyl-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

4151-0080

Molecular Formula

C14H15NS3 (C14 H15 NS3)

Compound Name

8-ethyl-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

IUPAC name

8-ethyl-44-dimethyl-1H4H5H-[12]dithiolo[34-c]quinoline-1-thione

SMILES

CCc(cc1)cc2c1NC(C)(C)C(SS1)=C2C1=S

InChI

InChI=1S/C14H15NS3/c1-4-8-5-6-10-9(7-8)11-12(14(2,3)15-10)17-18-13(11)16/h5-7,15H,4H2,1-3H3

InChI Key

HNJNKVPZQFYDTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02816965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.659

Distribution Coefficient, logD

4.659

Water Solubility, LogSw

-4.50

Polar Surface Area

11.882

Acid Dissociation Constant (pKa)

19.42

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

4151-0080 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 4151-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4151-0080?
Check Price and Availability of 4151-0080, 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 4151-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4151-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4151-0080
  • 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 4151-0080 available by request