Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-9201399591
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 | 8 USD | N/A | 10 working days | Get Quote |
| 5 mg | 64 USD | 98 | 16 working days | Get Quote |
| 10 mg | 92 USD | 97 | 20 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.
-
MCULE-8345183636
- Component type: Main
-
MCULE-3184544600
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9201399591.sdf |
| SMILES | MCULE-9201399591.smiles |
| Standard InChI | MCULE-9201399591.inchi |
| InChIKey | MCULE-9201399591.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867620016 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875782228 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-595214749 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-606841360 | AmBeed | In stock | N/A | As is | in stock |
| P-596964244 | Angene | Building Blocks in stock | 97 | As is | 1.168 g |
| P-580195583 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864125591 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-872868296 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
| P-860799444 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-675215693 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-888657610 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869162228 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-868492808 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| P-867679781 | A2B Chem | Predominantly Building Block in stock | 98 | As a main component | in stock |
| P-875857773 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-881624319 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-864290965 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
| P-860799673 | Chiralstar | Chiralstar Building Blocks | 98 | As a main component | in stock |
| P-888634135 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-869119185 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| P-868539717 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 440.856 |
| logP | 3.2296 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 97.86 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 115.0045 |
| Atoms | 49 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 18 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
