MCULE-1536780850
- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 51 USD | 95 | 8 working days | Get Quote |
| 10 mg | 51 USD | 95 | 8 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-1536780850.sdf |
| SMILES | MCULE-1536780850.smiles |
| Standard InChI | MCULE-1536780850.inchi |
| InChIKey | MCULE-1536780850.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867633511 | 95 | As is | in stock |
| P-875798228 | N/A | As is | in stock |
| P-590365574 | 95 | As is | in stock |
| P-903152641 | 95 | As is | 1000 mg |
| P-866097034 | 95 | As is | 5.7 g |
| P-606941441 | N/A | As is | in stock |
| P-489206694 | 97 | As is | in stock |
| P-494328330 | 95 | As is | by resynthesis (? - ? days) |
| P-889474468 | 95 | As is | by synthesis |
| P-481173823 | 95 | As is | 2 g |
| P-852217665 | 95 | As is | by synthesis |
| P-901451535 | 95 | As is | by synthesis |
| P-492254751 | 95 | As is | in stock |
| P-4148137 | 90 | As is | 100 mg |
| P-577158922 | 90 | As is | by synthesis |
| P-517289531 | 95 | As is | in stock |
| P-905265710 | 98 | As is | in stock |
| P-18803280 | 95 | As is | 38.583 g |
| P-454397833 | 95 | As is | 38.583 g |
| P-588249658 | N/A | As is | by synthesis |
| P-852414167 | N/A | As is | in stock |
| P-428004538 | 90 | As is | 271 g |
| P-854800901 | 95 | As is | by synthesis |
| P-885517337 | 95 | As is | by synthesis |
| P-424849105 | 90 | As is | in stock |
| P-596737872 | 95 | As is | 1.25 g |
| P-502363574 | 90 | As is | in stock |
| P-611580109 | 90 | As is | in stock |
| P-35084307 | 90 | As is | 6.92 g |
| P-464680734 | 90 | As is | 6.92 g |
| P-893647933 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 180.204 |
| logP | 1.89 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 64.35 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 51.6511 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| 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 |

