Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4504390570
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 | 6 USD | 97 | 8 working days | Get Quote |
| 5 mg | 6 USD | 97 | 8 working days | Get Quote |
| 10 mg | 6 USD | 97 | 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-4504390570.sdf |
| SMILES | MCULE-4504390570.smiles |
| Standard InChI | MCULE-4504390570.inchi |
| InChIKey | MCULE-4504390570.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867581911 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875740769 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-505352884 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-881671208 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-606884653 | AmBeed | In stock | N/A | As is | in stock |
| P-489125252 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596952911 | Angene | Building Blocks in stock | 98 | As is | 7 kg |
| P-494328320 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-889460452 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-580734808 | BLD pharm | In-stock building blocks | 97 | As is | 4.15 kg |
| P-893225683 | Biosynth | In Stock | 95 | As is | in stock |
| P-619931216 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-851273873 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868591152 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-34586124 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580432407 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889116682 | FluoroChem | In Stock BB | N/A | As is | 1000 g |
| P-870661887 | Glentham Life Sciences | Compounds typically in stock | 98 | As is | in stock |
| P-502528407 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-890850684 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-890849936 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-454393237 | Key Organics | Building Blocks | 95 | As is | 100 g |
| P-454301571 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-31253068 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-613281701 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-581745004 | Manchester Organics | Stock compounds | 97 | As is | 126.5 g |
| P-852444005 | Matrix Scientific | All | N/A | As is | in stock |
| P-854739929 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-424836724 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885538303 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22823974 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502350119 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611507249 | Toronto Research | In stock | 90 | As is | in stock |
| P-1227863 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 50 mg |
| P-893968922 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 168.618 |
| logP | 2.9327 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 46.4535 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 9 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |
