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MCULE-4500611490
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 | 17 working days | Get Quote |
| 5 mg | 50 USD | 90 | 17 working days | Get Quote |
| 10 mg | 64 USD | 90 | 17 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-4500611490.sdf |
| SMILES | MCULE-4500611490.smiles |
| Standard InChI | MCULE-4500611490.inchi |
| InChIKey | MCULE-4500611490.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-504704723 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
| P-454663407 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-15144973 | ChemDiv | Discovery Chemistry Library | 90 | As is | 37 mg |
| P-436442961 | Chemical Block | Building Blocks | 90 | As is | 5.03 g |
| P-304883 | Chemical Block | Screening Library | 90 | As is | 770 mg |
| P-34603175 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-23881211 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-502328358 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22525200 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1 mg |
| P-1212087 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 62 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 191.187 |
| logP | 1.812 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 74.17 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 49.6814 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
