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MCULE-4400474200
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 | 44 USD | 95 | 14 working days | Get Quote |
| 5 mg | 89 USD | 95 | 14 working days | Get Quote |
| 10 mg | 146 USD | 95 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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1
MCULE-1353253711
- Component type: Main
-
1
MCULE-3643444072
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4400474200.sdf |
| SMILES | MCULE-4400474200.smiles |
| Standard InChI | MCULE-4400474200.inchi |
| InChIKey | MCULE-4400474200.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875816882 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-892414223 | BLD pharm | In-stock building blocks | 98 | Main component | unavailable |
| P-851244102 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-887190573 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-579479000 | DC Chemicals Limited | Stock Products | 95 | Main component | in stock |
| P-852502980 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854715908 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-474023198 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-851278250 | Chemshuttle | On request catalog | 95 | Main component as a main component | by synthesis |
| P-893628416 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-871068655 | MedKoo | In stock compounds | 95 | Main component as a main component | in stock |
| P-888169438 | Molnova | On demand | 98 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 525.557 |
| logP | 1.1272 |
| H-bond acceptors | 13 |
| H-bond donors | 6 |
| Rotatable bonds | 8 |
| PSA | 188.03 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 147.5266 |
| Atoms | 69 |
| Rings | 4 |
| Heavy atoms | 38 |
| Hydrogen atoms | 31 |
| Heteroatoms | 13 |
| N/O atoms | 13 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
