Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9609964417-0
Structure
Show compound
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 | 35 USD | 95 | 14 working days | Get Quote |
| 5 mg | 35 USD | 95 | 14 working days | Get Quote |
| 10 mg | 41 USD | 95 | 14 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.
-
1
MCULE-9665869449-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9609964417-0.sdf |
| SMILES | MCULE-9609964417-0.smiles |
| Standard InChI | MCULE-9609964417-0.inchi |
| InChIKey | MCULE-9609964417-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886744155 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-890036722 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-861391326 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-867633934 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-875797969 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-436451053 | Alinda | Building Blocks | 95 | Main component | 54 g |
| P-851691101 | AmBeed | On request | N/A | Main component | by synthesis |
| P-492256923 | ChemBridge | Building Block Library | 95 | Main component | in stock |
| P-872447768 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 50 mg |
| P-454754917 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
| P-454702028 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
| P-861535226 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-34802258 | Crea-Chim | HTS compounds | 90 | Main component | by resynthesis (? - ? days) |
| P-580775134 | Crea-Chim | Building Blocks | 95 | Main component | by resynthesis (? - ? days) |
| P-580764619 | Crea-Chim | Prepacked BB compounds with prompt delivery | 95 | Main component | in stock |
| P-580290670 | Debye Scientific | General Catalog | N/A | Main component | by resynthesis (? - ? days) |
| P-861948751 | FluoroChem | General BB | N/A | Main component | in stock |
| P-588711025 | Key Organics | Building Blocks | 95 | Main component | unavailable |
| P-580500854 | Manchester Organics | Compounds on demand | 95 | Main component | by synthesis |
| P-852405519 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854893970 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-19522662 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-33464977 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
| P-502341638 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611562749 | Toronto Research | In stock | 90 | Main component | in stock |
| P-886706658 | A2B Chem | Predominantly Building Block in stock | 95 | Main component as a main component | in stock |
| P-890007392 | AA Blocks | AA Blocks - synthesis | N/A | Main component as a main component | by synthesis |
| P-869279439 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-851743536 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-611070512 | BLD pharm | Non-stock building blocks | 95 | Main component as a main component | by synthesis |
| P-861391397 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-611577299 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 212.117 |
| logP | 2.4428 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 29.85 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 54.9597 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
