Y021-0205 Screening compound: 8-ethoxy-5-(4-methoxybenzoyl)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

Y021-0205 Screening compound: 8-ethoxy-5-(4-methoxybenzoyl)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione
Y021-0205 Screening compound: 8-ethoxy-5-(4-methoxybenzoyl)-4,4-dimethyl-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0205
8-ethoxy-5-(4-methoxybenzoyl)-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

Y021-0205

Molecular Formula

C22H21NO3S3 (C22 H21 NO3 S3)

Compound Name

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

IUPAC name

8-ethoxy-5-(4-methoxybenzoyl)-44-dimethyl-1H4H5H-[12]dithiolo[34-c]quinoline-1-thione

SMILES

CCOc(cc1)cc(C2=C(C3(C)C)SSC2=S)c1N3C(c(cc1)ccc1OC)=O

InChI

InChI=1S/C22H21NO3S3/c1-5-26-15-10-11-17-16(12-15)18-19(28-29-21(18)27)22(2,3)23(17)20(24)13-6-8-14(25-4)9-7-13/h6-12H,5H2,1-4H3

InChI Key

MLKNRXBDPAWMLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00624697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.038

Distribution Coefficient, logD

5.038

Water Solubility, LogSw

-4.75

Polar Surface Area

29.102

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

Y021-0205 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 Y021-0205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0205?
Check Price and Availability of Y021-0205, 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 Y021-0205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0205
  • 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 Y021-0205 available by request