Y021-0196 Screening compound: 5-(4-chlorobenzoyl)-4,4,8-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

Y021-0196 Screening compound: 5-(4-chlorobenzoyl)-4,4,8-trimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione
Y021-0196 Screening compound: 5-(4-chlorobenzoyl)-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 Y021-0196
5-(4-chlorobenzoyl)-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

Y021-0196

Molecular Formula

C20H16ClNOS3 (C20 H16 ClNOS3)

Compound Name

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

IUPAC name

5-(4-chlorobenzoyl)-448-trimethyl-1H4H5H-[12]dithiolo[34-c]quinoline-1-thione

SMILES

CC1(C)N(C(c(cc2)ccc2Cl)=O)c(ccc(C)c2)c2C2=C1SSC2=S

InChI

InChI=1S/C20H16ClNOS3/c1-11-4-9-15-14(10-11)16-17(25-26-19(16)24)20(2,3)22(15)18(23)12-5-7-13(21)8-6-12/h4-10H,1-3H3

InChI Key

ZANHYTNTARQFMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00226269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418

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

5.554

Distribution Coefficient, logD

5.554

Water Solubility, LogSw

-5.88

Polar Surface Area

14.434

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y021-0196 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 Y021-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0196?
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What is the minimum amount of Y021-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0196
  • 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 Y021-0196 available by request