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UNKNOWN STEREO
MCULE-4748076858-0
Structure
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- 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 | N/A | 9 working days | Get Quote |
| 5 mg | 6 USD | N/A | 9 working days | Get Quote |
| 10 mg | 6 USD | N/A | 9 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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| Name | File |
|---|---|
| SDF | MCULE-4748076858-0.sdf |
| SMILES | MCULE-4748076858-0.smiles |
| Standard InChI | MCULE-4748076858-0.inchi |
| InChIKey | MCULE-4748076858-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869191251 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505352072 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-505403874 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-606854833 | AmBeed | In stock | N/A | As is | in stock |
| P-872868187 | Axon Medchem | Axon predominantly SC catalog | 100 | As is | in stock |
| P-577214051 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
| P-580452394 | CliniSciences S.A.S | All products | 98 | As is | in stock |
| P-428629654 | Eximed | In-stock screening compounds | 90 | As is | 1.39 g |
| P-864497844 | Eximed | In-stock screening compounds | 90 | As is | 1.88 g |
| P-492273212 | Eximed | Building Block Catalog | 95 | As is | 1.39 g |
| P-864497620 | Eximed | In-stock screening compounds | 90 | As is | 2.98 g |
| P-580041788 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-580005764 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-488555418 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
| P-488544920 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-524443584 | Key Organics | Biochemicals | 97 | As is | 265 mg |
| P-674817427 | Otava | In-House Stock Library | 90 | As is | 1.39 g |
| P-620219070 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.39 g |
| P-454364324 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-445305692 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-500375703 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-869120820 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892289583 | TargetMol | In Stock BB | 95 | As is | 1.004 g |
| P-888635564 | TargetMol | Screening Compounds - stock amount | 95 | As is | 1.004 g |
| P-854957712 | Toronto Research | In stock | 90 | As is | in stock |
| P-464689803 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.009 g |
| P-2071931 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.009 g |
| P-480195680 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 317.422 |
| logP | 3.6518 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 66.4 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 91.7515 |
| Atoms | 50 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 27 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
