8013-3222 Screening compound: 7,7-dimethyl-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione

8013-3222 Screening compound: 7,7-dimethyl-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione
8013-3222 Screening compound: 7,7-dimethyl-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3222
7,7-dimethyl-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione

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

8013-3222

Molecular Formula

C14H9NO2S3 (C14 H9 NO2 S3)

Compound Name

7,7-dimethyl-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione

IUPAC name

77-dimethyl-3-sulfanylidene-45-dithia-8-azatetracyclo[6.6.1.0^{26}.0^{1115}]pentadeca-1(15)2(6)1113-tetraene-910-dione

SMILES

CC(C)(C(SSC1=S)=C1c1c2c(C3=O)ccc1)N2C3=O

InChI

InChI=1S/C14H9NO2S3/c1-14(2)11-8(13(18)20-19-11)6-4-3-5-7-9(6)15(14)12(17)10(7)16/h3-5H,1-2H3

InChI Key

DXWVXGZHLJSGQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03290252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

2.465

Water Solubility, LogSw

-2.76

Polar Surface Area

29.950

Acid Dissociation Constant (pKa)

30.05

Base Dissociation Constant (pKb)

-3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

8013-3222 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8013-3222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3222?
Check Price and Availability of 8013-3222, 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 8013-3222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3222
  • 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 8013-3222 available by request