Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8358350949
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 | 6 USD | 98 | 9 working days | Get Quote |
| 5 mg | 6 USD | 98 | 9 working days | Get Quote |
| 10 mg | 6 USD | 98 | 9 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-8358350949.sdf |
| SMILES | MCULE-8358350949.smiles |
| Standard InChI | MCULE-8358350949.inchi |
| InChIKey | MCULE-8358350949.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867570396 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875731057 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590401072 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-578527343 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851941999 | AmBeed | In stock | N/A | As is | in stock |
| P-489184362 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596987586 | Angene | Building Blocks in stock | 98 | As is | 620.25 g |
| P-579787127 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864198419 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-615697776 | BLD pharm | In-stock building blocks | 98 | As is | 62.25 g |
| P-449699995 | ChemDiv | New Chemistry Library | 90 | As is | 217 mg |
| P-851279322 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868614385 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-862091311 | FluoroChem | General BB | N/A | As is | in stock |
| P-502528676 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454410125 | Key Organics | Building Blocks | 97 | As is | 83.236 g |
| P-18802617 | Key Organics | Screening Compounds and Fragments | 97 | As is | 83.236 g |
| P-579694033 | LabSeeker, Inc | On demand Catalog | 98 | As is | by resynthesis (? - ? days) |
| P-467965091 | Life Chemicals | Building Blocks | 95 | As is | 37.159 g |
| P-852414116 | Matrix Scientific | All | N/A | As is | in stock |
| P-863694773 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-871005250 | Otava | In-House Stock Library | 90 | As is | 2.575 g |
| P-885546188 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-873285656 | Shanghai iChemical | In stock | N/A | As is | in stock |
| P-502372648 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611381483 | Toronto Research | In stock | 90 | As is | in stock |
| P-615410948 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 223.226 |
| logP | 2.6126 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 37.38 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 67.2955 |
| Atoms | 26 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
