0370-0001 Screening compound: 8-ethoxy-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

0370-0001 Screening compound: 8-ethoxy-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione
0370-0001 Screening compound: 8-ethoxy-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0370-0001
8-ethoxy-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

0370-0001

Molecular Formula

C14H15NOS3 (C14 H15 NOS3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C14H15NOS3/c1-4-16-8-5-6-10-9(7-8)11-12(14(2,3)15-10)18-19-13(11)17/h5-7,15H,4H2,1-3H3

InChI Key

YRRDXVRXIOZCAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00193039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.213

Distribution Coefficient, logD

4.213

Water Solubility, LogSw

-4.29

Polar Surface Area

19.006

Acid Dissociation Constant (pKa)

19.21

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

0370-0001 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0370-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0370-0001?
Check Price and Availability of 0370-0001, 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 0370-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0370-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0370-0001
  • 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 0370-0001 available by request