Y021-0279 Screening compound: 5-(2,4-dichlorobenzoyl)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

Y021-0279 Screening compound: 5-(2,4-dichlorobenzoyl)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione
Y021-0279 Screening compound: 5-(2,4-dichlorobenzoyl)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0279
5-(2,4-dichlorobenzoyl)-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

Y021-0279

Molecular Formula

C19H13Cl2NOS3 (C19 H13 Cl2 NOS3)

Compound Name

5-(2,4-dichlorobenzoyl)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

IUPAC name

5-(24-dichlorobenzoyl)-44-dimethyl-1H4H5H-[12]dithiolo[34-c]quinoline-1-thione

SMILES

CC1(C)N(C(c(ccc(Cl)c2)c2Cl)=O)c(cccc2)c2C2=C1SSC2=S

InChI

InChI=1S/C19H13Cl2NOS3/c1-19(2)16-15(18(24)26-25-16)12-5-3-4-6-14(12)22(19)17(23)11-8-7-10(20)9-13(11)21/h3-9H,1-2H3

InChI Key

WCFNEGCVCDBFOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01562391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.42

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

5.479

Distribution Coefficient, logD

5.479

Water Solubility, LogSw

-5.96

Polar Surface Area

14.434

Acid Dissociation Constant (pKa)

29.90

Base Dissociation Constant (pKb)

-6.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

Y021-0279 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 Y021-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0279?
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What is the minimum amount of Y021-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0279
  • 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 Y021-0279 available by request