Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9601047211-0
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 62 USD | 90 | 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.
-
1
MCULE-9183852189-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9601047211-0.sdf |
| SMILES | MCULE-9601047211-0.smiles |
| Standard InChI | MCULE-9601047211-0.inchi |
| InChIKey | MCULE-9601047211-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-894641901 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-494451311 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-617652308 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-34572923 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580769315 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
| P-580780213 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
| P-862086278 | FluoroChem | General BB | N/A | As is | in stock |
| P-580469657 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
| P-852599917 | Matrix Scientific | All | N/A | As is | in stock |
| P-854912210 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-502439765 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-873216360 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-886655640 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-889952774 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
| P-851807877 | AmBeed | On request | N/A | Main component | by synthesis |
| P-611141460 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-584581223 | ChemDiv | Discovery Chemistry Library | 90 | Main component | unavailable |
| P-318065 | Chemical Block | Screening Library | 90 | Main component | unavailable |
| P-860789435 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
| P-864072414 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-23881032 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-22513077 | TimTec | ActiMol 1 Week - Stock | 90 | Main component | 110 mg |
| P-596527761 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 1.041 g |
| P-1038358 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 1.041 g |
| P-893736690 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| P-24482996 | InterBioScreen | Natural Compounds | 92 | Main component as a main component | 300 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 332.797 |
| logP | 4.6815 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 37.05 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 95.5424 |
| Atoms | 41 |
| Rings | 4 |
| Heavy atoms | 23 |
| Hydrogen atoms | 18 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
