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UNKNOWN STEREO
MCULE-4957591398
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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1
MCULE-3547233143
- Component type: Main
-
1
MCULE-4467353796
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4957591398.sdf |
| SMILES | MCULE-4957591398.smiles |
| Standard InChI | MCULE-4957591398.inchi |
| InChIKey | MCULE-4957591398.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-854062128 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-854584477 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
| P-454363814 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-590247402 | Pharmeks LLC | Natural & unique compounds | 92 | As is | 300 mg |
| P-867615051 | A2B Chem | Predominantly Building Block in stock | 99 | Main component | in stock |
| P-869159156 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-888654777 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| P-852034119 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 117 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1008.237 |
| logP | 7.3802 |
| H-bond acceptors | 16 |
| H-bond donors | 4 |
| Rotatable bonds | 10 |
| PSA | 199.16 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 270.1416 |
| Atoms | 153 |
| Rings | 8 |
| Heavy atoms | 72 |
| Hydrogen atoms | 81 |
| Heteroatoms | 16 |
| N/O atoms | 16 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 20 |
| R/S chiral centers | 20 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 3 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 3 |
| Undefined stereo double bonds | 0 |
