Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4939426452
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 | 97 | 16 working days | Get Quote |
| 5 mg | 5 USD | 97 | 16 working days | Get Quote |
| 10 mg | 5 USD | 97 | 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.
| Name | File |
|---|---|
| SDF | MCULE-4939426452.sdf |
| SMILES | MCULE-4939426452.smiles |
| Standard InChI | MCULE-4939426452.inchi |
| InChIKey | MCULE-4939426452.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867580973 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875739892 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-535625837 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-869224260 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-505390005 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-608432303 | Aldlab Chemicals | Building Block Stock | 95 | As is | 638.12 g |
| P-606903861 | AmBeed | In stock | N/A | As is | in stock |
| P-596952545 | Angene | Building Blocks in stock | 97 | As is | 45.85 kg |
| P-589653563 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-864187674 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-851272385 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868651056 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580432554 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861987456 | FluoroChem | General BB | N/A | As is | in stock |
| P-870663186 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
| P-505526366 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-524164740 | Key Organics | Building Blocks | 99 | As is | 498.7 g |
| P-855992673 | Key Organics | Screening Compounds and Fragments | 99 | As is | 498.7 g |
| P-856044358 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-31249660 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-613276298 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-580465021 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
| P-852444064 | Matrix Scientific | All | N/A | As is | in stock |
| P-854740354 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-500400236 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-19531306 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-889867553 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596767151 | Synthonix | In-stock Building Blocks | 95 | As is | 55.775 kg |
| P-22823985 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502366811 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611365997 | Toronto Research | In stock | 90 | As is | in stock |
| P-590436819 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 186.206 |
| logP | 2.7648 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 40.46 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 55.924 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
