Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4947700832
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 | 13 USD | 97 | 11 working days | Get Quote |
| 5 mg | 13 USD | 97 | 11 working days | Get Quote |
| 10 mg | 13 USD | 97 | 11 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-9963141033
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4947700832.sdf |
| SMILES | MCULE-4947700832.smiles |
| Standard InChI | MCULE-4947700832.inchi |
| InChIKey | MCULE-4947700832.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-675096261 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-33291106 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-867558588 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-875718159 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-869191549 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-590415860 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-34912380 | Alinda | Stock Screening Compounds | 90 | Main component | in stock |
| P-606930199 | AmBeed | In stock | N/A | Main component | in stock |
| P-596944327 | Angene | Building Blocks in stock | 98 | Main component | 3.5 kg |
| P-589657138 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
| P-889468672 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-590596819 | BLD pharm | In-stock building blocks | 98 | Main component | 35 g |
| P-868607517 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
| P-580273656 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-889283809 | FluoroChem | General BB | 98 | Main component | in stock |
| P-502590683 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-596570307 | Key Organics | Building Blocks | 97 | Main component | 25 g |
| P-870640235 | Key Organics | Screening Compounds and Fragments | 97 | Main component | 100 mg |
| P-580497828 | Manchester Organics | Compounds on demand | 95 | Main component | by synthesis |
| P-584621497 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-18855071 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-889865241 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-22811128 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
| P-888470802 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-615403385 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 173.144 |
| logP | 1.751 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 44.65 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 41.1725 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
