J097-0213 Screening compound: 9-[3,4-dihydro-1(2H)-quinolinylcarbonyl]-6-ethyl-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
Chemical Structure Depiction of ChemDiv screening compound J097-0213
9-[3,4-dihydro-1(2H)-quinolinylcarbonyl]-6-ethyl-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-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
J097-0213
Molecular Formula
C24H22N2O3S (C24 H22 N2 O3 S)
Compound Name
9-[3,4-dihydro-1(2H)-quinolinylcarbonyl]-6-ethyl-5lambda~6~-dibenzo[c,e][1,2]thiazine-5,5(6H)-dione
IUPAC name
9-ethyl-13-(1234-tetrahydroquinoline-1-carbonyl)-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaene-88-dione
SMILES
CCN(c(ccc(C(N(CCC1)c2c1cccc2)=O)c1)c1-c1c2cccc1)S2(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
418.52
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.397
Distribution Coefficient, logD
4.397
Water Solubility, LogSw
-4.21
Polar Surface Area
46.071
Acid Dissociation Constant (pKa)
26.00
Base Dissociation Constant (pKb)
-2.78
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
20.80
J097-0213 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anti-Inflammatory Library (24602 compounds)
Antiviral Library (67538 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
GPCR Targeted Library (31838 compounds)
KRAS-Targeted Library (16000 compounds)
Nonpeptide Peptidomimetics PPI Library (18997 compounds)
Nucleic Acid Ligands (8311 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Protein-Protein Interaction Library (218420 compounds)
Epitranscriptome Focused Small Molecule Library (20952 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- Immune system
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Infections
- Cancer
- Musculoskeletal
- Nervous system
- Hemic and lymphatic
- Immune system
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Nervous system
- Hemic and lymphatic
- Congenital
- Metabolic
- GPCR
- Kinases
- Others
- Receptor's ligands
- PPI modulators
- Epigenetic
- PPI modulators
- Epigenetic
- PPI modulators
- Mimetics
- Mimetics
References: we are preparing a list of scientific research reports with J097-0213 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)