MCULE-1827870428
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 53 USD | 98 | 16 working days | Get Quote |
5 mg | 87 USD | 95 | 37 working days | Get Quote |
10 mg | 138 USD | 95 | 37 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
MCULE-2874994583
- Component type: Main
-
MCULE-4379794558
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1827870428.sdf |
SMILES | MCULE-1827870428.smiles |
Standard InChI | MCULE-1827870428.inchi |
InChIKey | MCULE-1827870428.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867410567 | A2B Chem | Predominantly Building Block on demand | 98 | As is | by synthesis |
P-890155232 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-860797987 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-500226297 | Diverchim | Diverchim General Catalog | N/A | As is | in stock |
P-888631593 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869115839 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-611506659 | Toronto Research | In stock | 90 | As is | in stock |
P-867617738 | A2B Chem | Predominantly Building Block in stock | 98 | As a main component | in stock |
P-875779082 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-874649446 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
P-613854381 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-875890124 | Angene | Building Blocks in stock | 98 | As a main component | 800 mg |
P-864219977 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-889521202 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-868544404 | Axon Medchem | Axon predominantly SC catalog | 99 | As a main component | in stock |
P-887182540 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-887329653 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-500226298 | Diverchim | Diverchim General Catalog | N/A | As a main component | in stock |
P-854715885 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
P-872681153 | MedKoo | In stock compounds | 95 | As a main component | in stock |
P-888631594 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
P-869115840 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 438.563 |
logP | 5.17228 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 69.02 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 134.7532 |
Atoms | 63 |
Rings | 5 |
Heavy atoms | 33 |
Hydrogen atoms | 30 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 2 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |