Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-4417284526
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 | 4 USD | N/A | 10 working days | Get Quote |
| 5 mg | 4 USD | N/A | 10 working days | Get Quote |
| 10 mg | 4 USD | N/A | 10 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-4417284526.sdf |
| SMILES | MCULE-4417284526.smiles |
| Standard InChI | MCULE-4417284526.inchi |
| InChIKey | MCULE-4417284526.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867549554 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875707276 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869186621 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505352259 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-580232224 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606888506 | AmBeed | In stock | N/A | As is | in stock |
| P-596926773 | Angene | Building Blocks in stock | 98 | As is | 200 g |
| P-868545777 | Axon Medchem | Axon predominantly SC catalog | 98 | As is | in stock |
| P-860799567 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-580452388 | CliniSciences S.A.S | All products | 99 | As is | in stock |
| P-505513537 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-13724884 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-524441551 | Key Organics | Biochemicals | 97 | As is | 5.077 g |
| P-881190663 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-500376134 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-590489741 | Specs | Screening Compounds | 90 | As is | 226 mg |
| P-888634717 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869119853 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-2052678 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 312 mg |
| P-615396961 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 409.424 |
| logP | 4.9533 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 60.77 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 112.9728 |
| Atoms | 51 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 21 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
