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UNKNOWN STEREO
MCULE-6401179754-0
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 | 16 USD | 95 | 18 working days | Get Quote |
| 5 mg | 16 USD | 95 | 18 working days | Get Quote |
| 10 mg | 16 USD | 95 | 18 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-6401179754-0.sdf |
| SMILES | MCULE-6401179754-0.smiles |
| Standard InChI | MCULE-6401179754-0.inchi |
| InChIKey | MCULE-6401179754-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869194189 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505354754 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-579798988 | Eximed | In-stock screening compounds | 90 | As is | 1.67 g |
| P-580088763 | Eximed | Building Block Catalog | 95 | As is | 1.67 g |
| P-492246153 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502967588 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-488543318 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-620225147 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.67 g |
| P-26436916 | Otava | In-House Stock Library | 90 | As is | 1.67 g |
| P-454363644 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-611439716 | Toronto Research | In stock | 90 | As is | in stock |
| P-464690102 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.825 g |
| P-2252570 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.825 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 610.559 |
| logP | -1.1566 |
| H-bond acceptors | 15 |
| H-bond donors | 8 |
| Rotatable bonds | 7 |
| PSA | 234.29 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 141.4063 |
| Atoms | 77 |
| Rings | 5 |
| Heavy atoms | 43 |
| Hydrogen atoms | 34 |
| Heteroatoms | 15 |
| N/O atoms | 15 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 11 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 10 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
