1521-0108 Screening compound: 3,4-dimethoxy-6-methyl-5,7,8,15-tetrahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one
Chemical Structure Depiction of ChemDiv screening compound 1521-0108
3,4-dimethoxy-6-methyl-5,7,8,15-tetrahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one
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
1521-0108
Molecular Formula
C21H23NO5 (C21 H23 NO5)
Compound Name
3,4-dimethoxy-6-methyl-5,7,8,15-tetrahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one
IUPAC name
78-dimethoxy-11-methyl-1719-dioxa-11-azatetracyclo[12.7.0.0^{49}.0^{1620}]henicosa-1(21)4(9)571416(20)-hexaen-2-one
SMILES
CN(CCc(cc1OCOc1c1)c1C(C1)=O)Cc2c1ccc(OC)c2OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
HBr
Molecular Weight
369.42
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
2.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.101
Distribution Coefficient, logD
1.372
Water Solubility, LogSw
-3.37
Polar Surface Area
49.339
Acid Dissociation Constant (pKa)
14.90
Base Dissociation Constant (pKb)
9.12
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
38.10
1521-0108 in Drug Discovery
Included in Screening Libraries
Anti-infective Library (19449 compounds)
Anti-Inflammatory Library (24602 compounds)
Anticancer Library (62698 compounds)
Antimitotic Tubulin Library (17355 compounds)
Frequent Hitters Library (7624 compounds)
Selective Target Activity Profiling Library (14702 compounds)
Voltage-Gated Ion Channel-Targeted Library (4740 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
- Infections
- Immune system
- animal
- Immune system
- Cancer
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Nervous system
- Nervous system
- Nervous system
- Cardiovascular
- Pool
- Ion Channels
- Ion Channels
References: we are preparing a list of scientific research reports with 1521-0108 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)