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MCULE-2017431004
Compound
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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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 45 USD | 90 | 22 working days | Get Quote |
| 10 mg | 60 USD | 90 | 22 working days | Get Quote |
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| Name | File |
|---|---|
| SDF | MCULE-2017431004.sdf |
| SMILES | MCULE-2017431004.smiles |
| Standard InChI | MCULE-2017431004.inchi |
| InChIKey | MCULE-2017431004.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867520585 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-869197461 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-4210593 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-502647213 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-503647042 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-12520034 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-31161154 | LaboTest | Screening Collection | 90 | As is | 500 mg |
| P-621081886 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-864666505 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-19019047 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22815052 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-1065057 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 181 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 240.257 |
| logP | 2.63798 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 65.88 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 68.6517 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
