6186-3420 Screening compound: 2-ethoxy-7,7-dimethyl-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione

6186-3420 Screening compound: 2-ethoxy-7,7-dimethyl-10-thioxo-7,10-dihydro[1,2]dithiolo[3,4-c]pyrrolo[3,2,1-ij]quinoline-4,5-dione
6186-3420 Screening compound: 2-ethoxy-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 6186-3420
2-ethoxy-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

6186-3420

Molecular Formula

C16H13NO3S3 (C16 H13 NO3 S3)

Compound Name

2-ethoxy-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

13-ethoxy-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

CCOc(cc1C2=O)cc(C3=C(C4(C)C)SSC3=S)c1N4C2=O

InChI

InChI=1S/C16H13NO3S3/c1-4-20-7-5-8-10-13(22-23-15(10)21)16(2,3)17-11(8)9(6-7)12(18)14(17)19/h5-6H,4H2,1-3H3

InChI Key

PJXSWVQBHZXMMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03300695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.079

Distribution Coefficient, logD

3.079

Water Solubility, LogSw

-3.28

Polar Surface Area

37.073

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

6186-3420 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 6186-3420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6186-3420?
Check Price and Availability of 6186-3420, 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 6186-3420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6186-3420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6186-3420
  • 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 6186-3420 available by request