6186-3421 Screening compound: 3,7,7-trimethyl-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione

6186-3421 Screening compound: 3,7,7-trimethyl-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione
6186-3421 Screening compound: 3,7,7-trimethyl-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 6186-3421
3,7,7-trimethyl-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

6186-3421

Molecular Formula

C15H11NO2S3 (C15 H11 NO2 S3)

Compound Name

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

IUPAC name

7712-trimethyl-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)c(C)cc1)N2C3=O

InChI

InChI=1S/C15H11NO2S3/c1-6-4-5-7-9-12(20-21-14(9)19)15(2,3)16-10(7)8(6)11(17)13(16)18/h4-5H,1-3H3

InChI Key

HFKJSEQTXFUGIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03298439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.46

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

2.955

Distribution Coefficient, logD

2.955

Water Solubility, LogSw

-3.26

Polar Surface Area

29.950

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

-3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

6186-3421 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 6186-3421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-3421?
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What is the minimum amount of 6186-3421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-3421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-3421
  • 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 6186-3421 available by request