Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-2208071574-0
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 | 39 USD | 95 | 16 working days | Get Quote |
| 5 mg | 39 USD | 95 | 16 working days | Get Quote |
| 10 mg | 39 USD | 95 | 16 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-6525920865-0
- Component type: Main
-
1
MCULE-1113222985-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2208071574-0.sdf |
| SMILES | MCULE-2208071574-0.smiles |
| Standard InChI | MCULE-2208071574-0.inchi |
| InChIKey | MCULE-2208071574-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875728306 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-890155381 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-892190003 | Angene | Building Blocks in stock | 98 | Main component | 100 mg |
| P-890851096 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-502439522 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-855239844 | Toronto Research | In stock | 90 | Main component | in stock |
| P-867568364 | A2B Chem | Predominantly Building Block in stock | 95 | Main component as a main component | in stock |
| P-869194544 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-869316105 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-505396581 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-864249928 | AstaTech | Backordered BBs | 95 | Main component as a main component | by synthesis |
| P-868543992 | Axon Medchem | Axon predominantly SC catalog | 99 | Main component as a main component | in stock |
| P-580450420 | CliniSciences S.A.S | All products | 99 | Main component as a main component | in stock |
| P-580007499 | Innovapharm | Virtual Building Blocks | 95 | Main component as a main component | by synthesis |
| P-869161323 | TargetMol | Screening Compounds - synthesis | 95 | Main component as a main component | by synthesis |
| P-892295574 | TargetMol | In Stock BB | 95 | Main component as a main component | unavailable |
| P-888656559 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | 100 mg |
| P-611409465 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-868496407 | eNovation Chemicals LLC | Building Blocks in stock | 97 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 432.494 |
| logP | 0.6702 |
| H-bond acceptors | 11 |
| H-bond donors | 4 |
| Rotatable bonds | 9 |
| PSA | 182.58 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 109.3831 |
| Atoms | 57 |
| Rings | 2 |
| Heavy atoms | 29 |
| Hydrogen atoms | 28 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
