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MCULE-6782992774
Compound
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- InChIKey:
- SMILES:
- InChI:
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| 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 | 260 USD | 90 | 9 working days | Get Quote |
| 5 mg | 260 USD | 90 | 9 working days | Get Quote |
| 10 mg | 260 USD | 90 | 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-6782992774.sdf |
| SMILES | MCULE-6782992774.smiles |
| Standard InChI | MCULE-6782992774.inchi |
| InChIKey | MCULE-6782992774.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-851458206 | AmBeed | On request | N/A | As is | by synthesis |
| P-596353871 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-590759839 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-12528628 | Specs | Screening Compounds | 90 | As is | 47 mg |
| P-33555440 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 449.280 |
| logP | 5.0427 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 7 |
| PSA | 139.14 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 106.7767 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 13 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
