Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4776895350
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 | 16 USD | 98 | 9 working days | Get Quote |
| 5 mg | 16 USD | 98 | 9 working days | Get Quote |
| 10 mg | 16 USD | 98 | 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-4776895350.sdf |
| SMILES | MCULE-4776895350.smiles |
| Standard InChI | MCULE-4776895350.inchi |
| InChIKey | MCULE-4776895350.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875734712 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590411977 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851926125 | AmBeed | In stock | N/A | As is | in stock |
| P-489164517 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596987934 | Angene | Building Blocks in stock | 98 | As is | 75 g |
| P-869485679 | Asinex | General screening catalog | 90 | As is | 559 mg |
| P-864163539 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-619600811 | BLD pharm | In-stock building blocks | 98 | As is | 31 g |
| P-5533590 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
| P-10626933 | ChemDiv | Discovery Chemistry Library | 90 | As is | 36 mg |
| P-868631730 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-34824018 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-580302421 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889309398 | FluoroChem | General BB | N/A | As is | in stock |
| P-492220719 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502674601 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502466721 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-503129279 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-12573201 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-579454511 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
| P-31141617 | LaboTest | Screening Collection | 90 | As is | 250 mg |
| P-35234463 | Maybridge | Screening Collection | 90 | As is | 60 g |
| P-854820696 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-13164654 | Otava | In-House Stock Library | 90 | As is | 100 mg |
| P-18950500 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-889880245 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22806049 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502355069 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888353613 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611485408 | Toronto Research | In stock | 90 | As is | in stock |
| P-677409740 | Ultimate 3P | Express 1 | 90 | As is | unavailable |
| P-529467 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 165 mg |
| P-3243382 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 165 mg |
| P-615391534 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 241.310 |
| logP | 3.9719 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 50.36 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 71.548 |
| Atoms | 28 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| 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 |
