Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9164230758-0
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 | 19 USD | 98 | 19 working days | Get Quote |
| 5 mg | 19 USD | 98 | 19 working days | Get Quote |
| 10 mg | 19 USD | 98 | 19 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-9164230758-0.sdf |
| SMILES | MCULE-9164230758-0.smiles |
| Standard InChI | MCULE-9164230758-0.inchi |
| InChIKey | MCULE-9164230758-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893168933 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-886576220 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-890148936 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869194076 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505352408 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-881626454 | AmBeed | On request | N/A | As is | by synthesis |
| P-552039977 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-890235030 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-580273517 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-608220014 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
| P-870662142 | Glentham Life Sciences | Compounds typically in stock | 98 | As is | in stock |
| P-31175265 | LaboTest | Screening Collection | 90 | As is | 500 mg |
| P-519761274 | Maybridge | Maybridge Building Blocks | 97 | As is | 107.9 g |
| P-35186830 | Maybridge | Screening Collection | 97 | As is | 107.9 kg |
| P-869019379 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-500379290 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-23969737 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885517144 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22506491 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 400 mg |
| P-2243686 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.009 g |
| P-3226732 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.009 g |
| P-893858428 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 294.303 |
| logP | 0.7801 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 118.72 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 73.8229 |
| Atoms | 39 |
| Rings | 1 |
| Heavy atoms | 21 |
| Hydrogen atoms | 18 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
