Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1016034452
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 | 5 USD | 95 | 9 working days | Get Quote |
| 5 mg | 5 USD | 95 | 9 working days | Get Quote |
| 10 mg | 5 USD | 95 | 9 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-1016034452.sdf |
| SMILES | MCULE-1016034452.smiles |
| Standard InChI | MCULE-1016034452.inchi |
| InChIKey | MCULE-1016034452.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867556296 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875715342 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-535625667 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505398088 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-608434467 | Aldlab Chemicals | Building Block Stock | 95 | As is | 49.5 g |
| P-606948699 | AmBeed | In stock | N/A | As is | in stock |
| P-489107228 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596943523 | Angene | Building Blocks in stock | 95 | As is | 3.218 kg |
| P-494348383 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-864088639 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580705257 | BLD pharm | In-stock building blocks | 95 | As is | 682 g |
| P-454643660 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-851272562 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861093275 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| P-868582661 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580428284 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861963722 | FluoroChem | General BB | N/A | As is | in stock |
| P-505519326 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-454386376 | Key Organics | Building Blocks | 95 | As is | 126 mg |
| P-454287757 | Key Organics | Screening Compounds and Fragments | 95 | As is | 126 mg |
| P-874455863 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-580460173 | Manchester Organics | Compounds on demand | 97 | As is | by synthesis |
| P-852441621 | Matrix Scientific | All | N/A | As is | in stock |
| P-519759907 | Maybridge | Maybridge Building Blocks | 97 | As is | 2.16 g |
| P-428054905 | Maybridge | Screening Collection | 97 | As is | 2.16 kg |
| P-854732381 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-423891718 | Otava | In-House Stock Library | 90 | As is | 500 mg |
| P-492276503 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 500 mg |
| P-500408476 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-19841189 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885516851 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596745983 | Synthonix | In-stock Building Blocks | 95 | As is | 4.578 kg |
| P-502372377 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611384918 | Toronto Research | In stock | 90 | As is | in stock |
| P-615392070 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 226.026 |
| logP | 1.7219 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 46.17 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.8562 |
| Atoms | 16 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 4 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
