MCULE-6521872557
- 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 | 18 USD | 98 | 15 working days | Get Quote |
| 5 mg | 18 USD | 98 | 15 working days | Get Quote |
| 10 mg | 22 USD | 98 | 15 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-6521872557.sdf |
| SMILES | MCULE-6521872557.smiles |
| Standard InChI | MCULE-6521872557.inchi |
| InChIKey | MCULE-6521872557.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892944854 | N/A | As is | by synthesis |
| P-869305107 | 95 | As is | in stock |
| P-505401419 | 95 | As is | in stock |
| P-903159422 | 95 | As is | 100 mg |
| P-1264059339 | 95 | As is | in stock |
| P-893606629 | 90 | As is | 690 mg |
| P-888731592 | N/A | As is | in stock |
| P-872727819 | 98 | As is | in stock |
| P-896054898 | 95 | As is | by synthesis |
| P-890245957 | 98 | As is | 18 mg |
| P-901454801 | 95 | As is | by synthesis |
| P-584500562 | 90 | As is | 1 mg |
| P-861512773 | 95 | As is | by synthesis |
| P-900265539 | 95 | As is | in stock |
| P-524166830 | 95 | As is | 100 mg |
| P-863727400 | 95 | As is | in stock |
| P-888174030 | 98 | As is | by synthesis |
| P-869128195 | 95 | As is | by synthesis |
| P-892291625 | 95 | As is | unavailable |
| P-888641006 | 95 | As is | 100 mg |
| P-33207747 | 90 | As is | in stock |
| P-888225866 | 90 | As is | 7 mg |
| P-893970067 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 234.256 |
| logP | 3.1546 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 57.36 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 72.0654 |
| Atoms | 28 |
| Rings | 4 |
| Heavy atoms | 18 |
| Hydrogen atoms | 10 |
| 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 |

