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MCULE-4731453105
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 | 50 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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| Name | File |
|---|---|
| SDF | MCULE-4731453105.sdf |
| SMILES | MCULE-4731453105.smiles |
| Standard InChI | MCULE-4731453105.inchi |
| InChIKey | MCULE-4731453105.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-5078120 | ChemDiv | Discovery Chemistry Library | 90 | As is | 21 mg |
| P-227502 | Chemical Block | Screening Library | 90 | As is | 175 mg |
| P-34698038 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-13044558 | InterBioScreen | Screening Compounds | 92 | As is | 200 mg |
| P-674646105 | Pharmeks LLC | Synthetic compounds | 92 | As is | 200 mg |
| P-23835460 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-33444079 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-1855944 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.345 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 368.513 |
| logP | 6.9984 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 17.82 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 120.078 |
| Atoms | 56 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 28 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
