MCULE-7500588380
- 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 | 81 USD | 98 | 22 working days | Get Quote |
| 5 mg | 81 USD | 98 | 22 working days | Get Quote |
| 10 mg | 81 USD | 98 | 22 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File |
|---|---|
| SDF | MCULE-7500588380.sdf |
| SMILES | MCULE-7500588380.smiles |
| Standard InChI | MCULE-7500588380.inchi |
| InChIKey | MCULE-7500588380.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867637501 | 98 | As is | in stock |
| P-875803128 | 98 | As is | in stock |
| P-590362185 | 95 | As is | by resynthesis (? - ? days) |
| P-903157973 | 97 | As is | 500 mg |
| P-893518449 | 90 | As is | 62.395 g |
| P-1270293403 | 97 | As is | in stock |
| P-851454392 | N/A | As is | by synthesis |
| P-596995975 | 97 | As is | 500 mg |
| P-895953618 | 95 | As is | by resynthesis (? - ? days) |
| P-864106319 | 95 | As is | in stock |
| P-590758889 | 97 | As is | by synthesis |
| P-851289192 | 95 | As is | by synthesis |
| P-861282777 | 97 | As is | in stock |
| P-868603839 | 98 | As is | in stock |
| P-905355309 | 98 | As is | 100 mg |
| P-500178099 | 96 | As is | in stock |
| P-563516735 | 95 | As is | 250 mg |
| P-608098977 | 95 | As is | in stock |
| P-888894057 | N/A | As is | in stock |
| P-904098046 | 97 | As is | 700 mg |
| P-611586589 | 90 | As is | in stock |
| P-1271717631 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 189.167 |
| logP | 1.6386 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 70.42 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 50.7253 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

