Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9225317698
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 | 12 USD | 97 | 22 working days | Get Quote |
| 5 mg | 12 USD | 97 | 22 working days | Get Quote |
| 10 mg | 12 USD | 97 | 22 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-9225317698.sdf |
| SMILES | MCULE-9225317698.smiles |
| Standard InChI | MCULE-9225317698.inchi |
| InChIKey | MCULE-9225317698.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867611536 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875771180 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-881671733 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505393896 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606895924 | AmBeed | In stock | N/A | As is | in stock |
| P-489149157 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-895933013 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864087723 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-889739517 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 46 g |
| P-590638485 | BLD pharm | In-stock building blocks | 98 | As is | 3.125 kg |
| P-901452944 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-584581348 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
| P-337843 | Chemical Block | Screening Library | 90 | As is | 969 mg |
| P-868645757 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-34728789 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-861972768 | FluoroChem | General BB | N/A | As is | in stock |
| P-870663062 | Glentham Life Sciences | Compounds maintained in stock | 96 | As is | in stock |
| P-12367799 | InterBioScreen | Screening Compounds | 92 | As is | 290 mg |
| P-895183521 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-899992135 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-584620782 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-878645495 | Molnova | Stock | 98 | As is | in stock |
| P-24065027 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885540873 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-869125861 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892290816 | TargetMol | In Stock BB | 95 | As is | 1.009 g |
| P-888639342 | TargetMol | Screening Compounds - stock amount | 95 | As is | 1.009 g |
| P-22624964 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-873224301 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-854999616 | Toronto Research | In stock | 90 | As is | in stock |
| P-1821485 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 118 mg |
| P-893989227 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 204.307 |
| logP | 3.3616 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 65.299 |
| Atoms | 35 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 20 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
