8019-5820 Screening compound: 6-[(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)sulfonyl]-3,4-dihydro-2(1H)-quinolinone

8019-5820 Screening compound: 6-[(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)sulfonyl]-3,4-dihydro-2(1H)-quinolinone
8019-5820 Screening compound: 6-[(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)sulfonyl]-3,4-dihydro-2(1H)-quinolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5820
6-[(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)sulfonyl]-3,4-dihydro-2(1H)-quinolinone

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

8019-5820

Molecular Formula

C24H25N3O3S (C24 H25 N3 O3 S)

Compound Name

6-[(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)sulfonyl]-3,4-dihydro-2(1H)-quinolinone

IUPAC name

6-({12-methyl-14-diazatetracyclo[7.6.1.0^{516}.0^{1015}]hexadeca-9(16)101214-tetraen-4-yl}sulfonyl)-1234-tetrahydroquinolin-2-one

SMILES

Cc(cc1)cc2c1n(CC1)c3c2CCCC3N1S(c(cc1)cc(CC2)c1NC2=O)(=O)=O

InChI

InChI=1S/C24H25N3O3S/c1-15-5-9-21-19(13-15)18-3-2-4-22-24(18)26(21)11-12-27(22)31(29,30)17-7-8-20-16(14-17)6-10-23(28)25-20/h5,7-9,13-14,22H,2-4,6,10-12H2,1H3,(H,25,28)/t22-/m0/s1

InChI Key

JMWFDOWRWFSACC-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD10038372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.547

Distribution Coefficient, logD

4.546

Water Solubility, LogSw

-4.30

Polar Surface Area

56.993

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

-2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

8019-5820 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-5820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5820?
Check Price and Availability of 8019-5820, 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 8019-5820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5820
  • 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 8019-5820 available by request