Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-5777896652
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 50 USD | 95 | 9 working days | Get Quote |
| 5 mg | 108 USD | 98 | 22 working days | Get Quote |
| 10 mg | 129 USD | 96 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-5777896652.sdf |
| SMILES | MCULE-5777896652.smiles |
| Standard InChI | MCULE-5777896652.inchi |
| InChIKey | MCULE-5777896652.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867612495 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875772940 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-606925640 | AmBeed | In stock | N/A | As is | in stock |
| P-865914904 | Angene | Building Blocks in stock | 96 | As is | 300 mg |
| P-860798129 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-505546798 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-869162372 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888657742 | TargetMol | Screening Compounds - stock amount | 95 | As is | 521 mg |
| P-855323870 | Toronto Research | In stock | 90 | As is | in stock |
| P-666968845 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 504.226 |
| logP | 1.1478 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 109.38 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 106.9013 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 15 |
| Heteroatoms | 11 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
