MCULE-7765298301
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-7765298301.sdf |
| SMILES | MCULE-7765298301.smiles |
| Standard InChI | MCULE-7765298301.inchi |
| InChIKey | MCULE-7765298301.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886509901 | N/A | As is | by synthesis |
| P-890132616 | N/A | As is | by synthesis |
| P-596459964 | 90 | As is | 11 mg |
| P-15142973 | 90 | As is | 14 mg |
| P-297599 | 90 | As is | 203 mg |
| P-34575743 | 90 | As is | by synthesis |
| P-13528015 | 92 | As is | 287 mg |
| P-674645655 | 92 | As is | 287 mg |
| P-23998713 | 90 | As is | in stock |
| P-13082548 | 90 | As is | 237 mg |
| P-22539118 | 90 | As is | 24 mg |
| P-1855126 | 90 | As is | 116 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 269.284 |
| logP | 2.5078 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 97.35 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 69.592 |
| Atoms | 26 |
| Rings | 4 |
| Heavy atoms | 19 |
| Hydrogen atoms | 7 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |

