Y020-9981 Screening compound: 5-(4-methoxybenzoyl)-4,4,7-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

Y020-9981 Screening compound: 5-(4-methoxybenzoyl)-4,4,7-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione
Y020-9981 Screening compound: 5-(4-methoxybenzoyl)-4,4,7-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-9981
5-(4-methoxybenzoyl)-4,4,7-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

Y020-9981

Molecular Formula

C21H19NO2S3 (C21 H19 NO2 S3)

Compound Name

5-(4-methoxybenzoyl)-4,4,7-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

IUPAC name

5-(4-methoxybenzoyl)-447-trimethyl-1H4H5H-[12]dithiolo[34-c]quinoline-1-thione

SMILES

CC1(C)N(C(c(cc2)ccc2OC)=O)c(cc(C)cc2)c2C2=C1SSC2=S

InChI

InChI=1S/C21H19NO2S3/c1-12-5-10-15-16(11-12)22(19(23)13-6-8-14(24-4)9-7-13)21(2,3)18-17(15)20(25)27-26-18/h5-11H,1-4H3

InChI Key

ANBVRUUYJUPGQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00624696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.948

Distribution Coefficient, logD

4.948

Water Solubility, LogSw

-4.69

Polar Surface Area

21.978

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

Y020-9981 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 Y020-9981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-9981?
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What is the minimum amount of Y020-9981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-9981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-9981
  • 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 Y020-9981 available by request