MCULE-7606437495
- 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 | 20 USD | N/A | 10 working days | Get Quote |
5 mg | 56 USD | N/A | 10 working days | Get Quote |
10 mg | 85 USD | 98 | 16 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.
Name | File |
---|---|
SDF | MCULE-7606437495.sdf |
SMILES | MCULE-7606437495.smiles |
Standard InChI | MCULE-7606437495.inchi |
InChIKey | MCULE-7606437495.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867620171 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875782327 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869301814 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-606906837 | AmBeed | In stock | N/A | As is | in stock |
P-596994704 | Angene | Building Blocks in stock | 98 | As is | 536 mg |
P-864179663 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-606956647 | BLD pharm | In-stock building blocks | 98 | As is | 536 mg |
P-861286559 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-861380510 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-608495690 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-854621604 | Excenen | Excenen compounds | 98 | As is | in stock |
P-596563303 | Key Organics | Building Blocks | 95 | As is | 5 mg |
P-854714289 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-888170107 | Molnova | On demand | 98 | As is | by synthesis |
P-888632198 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869116727 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-868501595 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 499.047 |
logP | 5.1254 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 112.18 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 139.8647 |
Atoms | 56 |
Rings | 5 |
Heavy atoms | 33 |
Hydrogen atoms | 23 |
Heteroatoms | 8 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |