Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9133006477
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 | 8 USD | 95 | 16 working days | Get Quote |
| 5 mg | 8 USD | 95 | 16 working days | Get Quote |
| 10 mg | 8 USD | 95 | 16 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-9133006477.sdf |
| SMILES | MCULE-9133006477.smiles |
| Standard InChI | MCULE-9133006477.inchi |
| InChIKey | MCULE-9133006477.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867579311 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875738392 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-588247264 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-580199571 | Aldlab Chemicals | Building Block Stock | 95 | As is | 205 g |
| P-606878960 | AmBeed | In stock | N/A | As is | in stock |
| P-596951916 | Angene | Building Blocks in stock | 95 | As is | 65.9 g |
| P-494426709 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864146387 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580699481 | BLD pharm | In-stock building blocks | 95 | As is | 250 mg |
| P-868601961 | Combi-Blocks | Building Block in stock | 96 | As is | in stock |
| P-862021209 | FluoroChem | General BB | N/A | As is | in stock |
| P-505491953 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-524189190 | Key Organics | Building Blocks | 95 | As is | 10 g |
| P-855996664 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-856019253 | LaboTest | Screening Collection | 90 | As is | 5 g |
| P-856044601 | LaboTest | Building Blocks | 90 | As is | 5 g |
| P-854766213 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-500397905 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-889867461 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596765049 | Synthonix | In-stock Building Blocks | 95 | As is | 83.65 g |
| P-502350227 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22521505 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| P-611367930 | Toronto Research | In stock | 90 | As is | in stock |
| P-588743840 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
| P-575303807 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 204.178 |
| logP | 1.9492 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 1 |
| PSA | 77.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 54.9533 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
