8010-2287 Screening compound: 4,4,8-trimethyl-5-(3,4,5-trimethoxybenzoyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione

8010-2287 Screening compound: 4,4,8-trimethyl-5-(3,4,5-trimethoxybenzoyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione
8010-2287 Screening compound: 4,4,8-trimethyl-5-(3,4,5-trimethoxybenzoyl)-1H,4H,5H-[1,2]dithiolo[3,4-c]quinoline-1-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2287
4,4,8-trimethyl-5-(3,4,5-trimethoxybenzoyl)-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

8010-2287

Molecular Formula

C23H23NO4S3 (C23 H23 NO4 S3)

Compound Name

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

IUPAC name

448-trimethyl-5-(345-trimethoxybenzoyl)-1H4H5H-[12]dithiolo[34-c]quinoline-1-thione

SMILES

CC1(C)N(C(c(cc2OC)cc(OC)c2OC)=O)c(ccc(C)c2)c2C2=C1SSC2=S

InChI

InChI=1S/C23H23NO4S3/c1-12-7-8-15-14(9-12)18-20(30-31-22(18)29)23(2,3)24(15)21(25)13-10-16(26-4)19(28-6)17(11-13)27-5/h7-11H,1-6H3

InChI Key

JZBMOQJIURWZTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00624630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.674

Distribution Coefficient, logD

4.674

Water Solubility, LogSw

-4.56

Polar Surface Area

37.412

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

8010-2287 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 8010-2287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2287?
Check Price and Availability of 8010-2287, 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 8010-2287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2287
  • 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 8010-2287 available by request