Y020-9976 Screening compound: 4,4,6-trimethyl-5-(naphthalene-1-carbonyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

Y020-9976 Screening compound: 4,4,6-trimethyl-5-(naphthalene-1-carbonyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione
Y020-9976 Screening compound: 4,4,6-trimethyl-5-(naphthalene-1-carbonyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-9976
4,4,6-trimethyl-5-(naphthalene-1-carbonyl)-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

Y020-9976

Molecular Formula

C24H19NOS3 (C24 H19 NOS3)

Compound Name

4,4,6-trimethyl-5-(naphthalene-1-carbonyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

IUPAC name

446-trimethyl-5-(naphthalene-1-carbonyl)-1H4H5H-[12]dithiolo[34-c]quinoline-1-thione

SMILES

CC1(C)N(C(c2cccc3ccccc23)=O)c(c(C)ccc2)c2C2=C1SSC2=S

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.62

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

5.784

Distribution Coefficient, logD

5.784

Water Solubility, LogSw

-6.60

Polar Surface Area

15.320

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

Y020-9976 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-9976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-9976?
Check Price and Availability of Y020-9976, 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 Y020-9976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-9976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-9976
  • 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 Y020-9976 available by request