Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-9617461427
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 | 98 | 16 working days | Get Quote |
| 5 mg | 5 USD | 98 | 16 working days | Get Quote |
| 10 mg | 5 USD | 98 | 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-9617461427.sdf |
| SMILES | MCULE-9617461427.smiles |
| Standard InChI | MCULE-9617461427.inchi |
| InChIKey | MCULE-9617461427.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867570173 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875730725 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-535625996 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505353278 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-505389502 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-596949340 | Angene | Building Blocks in stock | 98 | As is | 372.281 g |
| P-864250183 | AstaTech | Backordered BBs | 98 | As is | by synthesis |
| P-868545768 | Axon Medchem | Axon predominantly SC catalog | 98 | As is | in stock |
| P-619340701 | ChemDiv | Discovery Chemistry Library | 90 | As is | 989.995 g |
| P-580452330 | CliniSciences S.A.S | All products | 98 | As is | in stock |
| P-428624384 | Eximed | In-stock screening compounds | 90 | As is | 47.75 g |
| P-492272645 | Eximed | Building Block Catalog | 95 | As is | 47.75 g |
| P-888750891 | Eximed | In-stock screening compounds | 90 | As is | 5 g |
| P-505492494 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-580039713 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492245532 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-488555689 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
| P-488543749 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-524442350 | Key Organics | Biochemicals | 97 | As is | 471 mg |
| P-620218909 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 47.75 g |
| P-674817269 | Otava | In-House Stock Library | 90 | As is | 47.75 g |
| P-454363709 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-500405783 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-500374247 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-869175577 | TargetMol | Natural Products | 95 | As is | 410 mg |
| P-854955553 | Toronto Research | In stock | 90 | As is | in stock |
| P-2376611 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.005 g |
| P-464689958 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.005 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 414.404 |
| logP | 2.4092 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 92.68 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 103.8468 |
| Atoms | 52 |
| Rings | 5 |
| Heavy atoms | 30 |
| Hydrogen atoms | 22 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
