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MCULE-9702651152
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 | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 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-9702651152.sdf |
| SMILES | MCULE-9702651152.smiles |
| Standard InChI | MCULE-9702651152.inchi |
| InChIKey | MCULE-9702651152.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886492602 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-874609620 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-596373327 | Asinex | General screening catalog | 90 | As is | 19 mg |
| P-596490279 | Asinex | General bb catalog | 90 | As is | 19 mg |
| P-613338089 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-628733628 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-18966004 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-888386258 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-3244049 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 31 mg |
| P-590503 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 31 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 220.242 |
| logP | 2.3765 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 44.89 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 60.6454 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
