MCULE-5006350751
- 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 | 33 USD | 98 | 22 working days | Get Quote |
5 mg | 53 USD | 98 | 22 working days | Get Quote |
10 mg | 106 USD | 98 | 22 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-5006350751.sdf |
SMILES | MCULE-5006350751.smiles |
Standard InChI | MCULE-5006350751.inchi |
InChIKey | MCULE-5006350751.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867678151 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875855329 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869245026 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851856525 | AmBeed | On request | N/A | As is | by synthesis |
P-865931435 | Angene | Building Blocks in stock | 98 | As is | 150 mg |
P-864301067 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-666955805 | BLD pharm | Non-stock building blocks | 99 | As is | by synthesis |
P-851338880 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-861286387 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-868078951 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-502580846 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-855923269 | Key Organics | Building Blocks | 97 | As is | 50 mg |
P-854720996 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-871067093 | MedKoo | In stock compounds | 95 | As is | in stock |
P-888173411 | Molnova | On demand | 98 | As is | by synthesis |
P-888633713 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869118678 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-855049496 | Toronto Research | In stock | 90 | As is | in stock |
P-855054872 | Toronto Research | In stock | 90 | As is | in stock |
P-868532406 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 395.494 |
logP | 4.4981 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 9 |
PSA | 61.88 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 119.3647 |
Atoms | 58 |
Rings | 3 |
Heavy atoms | 29 |
Hydrogen atoms | 29 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
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 |