Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9417207538
Compound
Show structures
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 | N/A | 14 working days | Get Quote |
| 5 mg | 7 USD | N/A | 14 working days | Get Quote |
| 10 mg | 7 USD | N/A | 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-3441418614
- Component type: Main
-
2
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9417207538.sdf |
| SMILES | MCULE-9417207538.smiles |
| Standard InChI | MCULE-9417207538.inchi |
| InChIKey | MCULE-9417207538.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-881660820 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-606918550 | AmBeed | In stock | N/A | As is | in stock |
| P-596972819 | Angene | Building Blocks in stock | 97 | As is | 800 g |
| P-864147587 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-505573371 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
| P-862091251 | FluoroChem | General BB | N/A | As is | in stock |
| P-505494536 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-579711570 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888634203 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869119270 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611342381 | Toronto Research | In stock | 90 | As is | in stock |
| P-611369134 | Toronto Research | In stock | 90 | As is | in stock |
| P-886950068 | eNovation Chemicals LLC | Building Block on demand | 97 | As is | by synthesis |
| P-868821455 | AmBeed | In stock | N/A | Main component | in stock |
| P-860056853 | AvaChem Scientific | All products | 95 | Main component | by synthesis |
| P-889281692 | FluoroChem | General BB | N/A | Main component | in stock |
| P-505528510 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-888621628 | Key Organics | Building Blocks | 95 | Main component | 1 mg |
| P-856009245 | Key Organics | Biochemicals | 98 | Main component | 100 mg |
| P-878644255 | Molnova | Stock | 98 | Main component | in stock |
| P-888639219 | TargetMol | Screening Compounds | 95 | Main component | by synthesis |
| P-869125695 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 346.202 |
| logP | 0.2402 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 145.44 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 71.14 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 8 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 2 |
| 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 | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
