Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5537729917
Compound
Show structures
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 | 9 USD | 98 | 16 working days | Get Quote |
| 5 mg | 22 USD | 98 | 16 working days | Get Quote |
| 10 mg | 59 USD | 95 | 11 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-5537729917.sdf |
| SMILES | MCULE-5537729917.smiles |
| Standard InChI | MCULE-5537729917.inchi |
| InChIKey | MCULE-5537729917.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867608248 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-869195279 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505399665 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-610959427 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.834 g |
| P-606941406 | AmBeed | In stock | N/A | As is | in stock |
| P-596961496 | Angene | Building Blocks in stock | 98 | As is | 2 g |
| P-580192513 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864113723 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-868544149 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-860797593 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-580436714 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-870652803 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-505539396 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-505538539 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-855984264 | Key Organics | Building Blocks | 97 | As is | 100 mg |
| P-524166387 | Key Organics | Building Blocks | 95 | As is | 100 mg |
| P-885535395 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-579710134 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888641294 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869128697 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611459242 | Toronto Research | In stock | 90 | As is | in stock |
| P-855031191 | Toronto Research | In stock | 90 | As is | in stock |
| P-855031194 | Toronto Research | In stock | 90 | As is | in stock |
| P-886923233 | eNovation Chemicals LLC | Building Block on demand | 97 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 467.921 |
| logP | 5.24358 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 90.28 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 128.2314 |
| Atoms | 56 |
| Rings | 3 |
| Heavy atoms | 33 |
| Hydrogen atoms | 23 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
