Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3498938171
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 | 27 USD | 95 | 8 working days | Get Quote |
| 5 mg | 27 USD | 95 | 8 working days | Get Quote |
| 10 mg | 27 USD | 95 | 8 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-3498938171.sdf |
| SMILES | MCULE-3498938171.smiles |
| Standard InChI | MCULE-3498938171.inchi |
| InChIKey | MCULE-3498938171.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867621937 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-875783717 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-881662089 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-590401533 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-866098792 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | 2.7 g |
| P-867729834 | AmBeed | On request | N/A | As is | by synthesis |
| P-489110343 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-892189859 | Angene | Building Blocks in stock | 97 | As is | 500 mg |
| P-494329080 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864088145 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-481168966 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 2.75 g |
| P-590985863 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-868645777 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-889113354 | FluoroChem | In Stock BB | N/A | As is | 6 g |
| P-454353379 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
| P-860791987 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852450846 | Matrix Scientific | All | N/A | As is | in stock |
| P-519757558 | Maybridge | Maybridge Building Blocks | 97 | As is | 248 g |
| P-35222603 | Maybridge | Screening Collection | 97 | As is | 248 kg |
| P-895223371 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-502360847 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611482149 | Toronto Research | In stock | 90 | As is | in stock |
| P-893667442 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 236.263 |
| logP | 2.7148 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 55.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 63.4993 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
