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MCULE-9545701688
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 | 70 USD | 90 | 10 working days | Get Quote |
| 5 mg | 87 USD | 90 | 10 working days | Get Quote |
| 10 mg | 107 USD | 95 | 22 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-9545701688.sdf |
| SMILES | MCULE-9545701688.smiles |
| Standard InChI | MCULE-9545701688.inchi |
| InChIKey | MCULE-9545701688.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886612592 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889927931 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-580217340 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-851504746 | AmBeed | On request | N/A | As is | by synthesis |
| P-889516070 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-611056025 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-10554164 | ChemDiv | Discovery Chemistry Library | 90 | As is | 22 mg |
| P-861396211 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34784114 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-454323482 | Key Organics | Screening Compounds and Fragments | 90 | As is | 40 mg |
| P-31180795 | LaboTest | Screening Collection | 90 | As is | 1000 mg |
| P-895553701 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-630988922 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-18954417 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22448996 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 41 mg |
| P-611579511 | Toronto Research | In stock | 90 | As is | in stock |
| P-3245899 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 562 mg |
| P-893821552 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 179.215 |
| logP | 1.7222 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 38.33 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 50.5157 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
