N036-0108 Screening compound: 10-methoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-9-yl methyl ether
Chemical Structure Depiction of ChemDiv screening compound N036-0108
10-methoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-9-yl methyl ether
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
N036-0108
Molecular Formula
C20H21NO4 (C20 H21 NO4)
Compound Name
10-methoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-9-yl methyl ether
IUPAC name
1617-dimethoxy-57-dioxa-13-azapentacyclo[11.8.0.0^{210}.0^{48}.0^{1520}]henicosa-24(8)9151719-hexaene
SMILES
COc(ccc(C1)c2CN(CCc3c4)C1c3cc1c4OCO1)c2OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
339.39
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
3.115
Distribution Coefficient, logD
0.760
Water Solubility, LogSw
-3.21
Polar Surface Area
35.442
Acid Dissociation Constant (pKa)
23.17
Base Dissociation Constant (pKb)
9.75
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
40.00
N036-0108 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
Anti-infective Library (19449 compounds)
Antiviral Annotated Library (21441 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS Annotated Library (688 compounds)
CNS BBB Library (22607 compounds)
CNS MPO Library (28609 compounds)
Dark Chemical Matter Library (18430 compounds)
Human GPCR Annotated Library (5539 compounds)
Human Proteases Annotated Library (2868 compounds)
Launched & Clinically Evaluated Drugs Library (185 compounds)
Therapeutical Diversity Annotated Library (7563 compounds)
Akt-Targeted Library (14764 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Ion Channels Focused Library (26372 compounds)
Natural Compounds Library (353 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Infections
- Immune system
- animal
- Nervous system
- Nervous system
- Nervous system
- Eye
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Skin
- Nervous system
- Cardiovascular
- Epigenetic
- Receptor's ligands
- Pool
- GPCR
- Ion Channels
- Kinases
- Ion Channels
References: we are preparing a list of scientific research reports with N036-0108 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)