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UNKNOWN STEREO
MCULE-4080715104-1
Structure
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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 | 39 USD | 95 | 9 working days | Get Quote |
| 5 mg | 39 USD | 95 | 9 working days | Get Quote |
| 10 mg | 39 USD | 95 | 9 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
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MCULE-7013421597-1
- Component type: Main
-
MCULE-2667468526-1
- Component type: Main
-
MCULE-2521038406-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4080715104-1.sdf |
| SMILES | MCULE-4080715104-1.smiles |
| Standard InChI | MCULE-4080715104-1.inchi |
| InChIKey | MCULE-4080715104-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872826669 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875725528 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-851933953 | AmBeed | In stock | N/A | As is | in stock |
| P-851151177 | Angene | Building Blocks in stock | 98 | As is | 400 mg |
| P-881652427 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-889793242 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-675212161 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-874643151 | AK Scientific | Building Blocks | 97 | As a main component | in stock |
| P-881654628 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
| P-864107876 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-892263628 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
| P-892297545 | TargetMol | In Stock BB | 95 | As a main component | 948 mg |
| P-892344938 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | 948 mg |
| P-855094224 | Toronto Research | In stock | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 398.440 |
| logP | -1.9754 |
| H-bond acceptors | 11 |
| H-bond donors | 4 |
| Rotatable bonds | 7 |
| PSA | 210.76 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 96.5059 |
| Atoms | 49 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 22 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 6 |
| R/S chiral centers | 5 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
