MCULE-4599965277
- 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 | 7 USD | 98 | 22 working days | Get Quote |
| 5 mg | 20 USD | 98 | 22 working days | Get Quote |
| 10 mg | 20 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.
-
MCULE-1239122318
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4599965277.sdf |
| SMILES | MCULE-4599965277.smiles |
| Standard InChI | MCULE-4599965277.inchi |
| InChIKey | MCULE-4599965277.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867622447 | 98 | As is | in stock |
| P-875784924 | N/A | As is | in stock |
| P-903133026 | 98 | As is | 2 g |
| P-1264052825 | 95 | As is | in stock |
| P-610974924 | 90 | As is | 23.764 g |
| P-606893717 | N/A | As is | in stock |
| P-851151494 | 98 | As is | 500 mg |
| P-889545375 | 95 | As is | in stock |
| P-860056006 | 98 | As is | by synthesis |
| P-868544999 | 99 | As is | in stock |
| P-580723257 | 98 | As is | 1.35 g |
| P-851314927 | 95 | As is | by synthesis |
| P-893622349 | 95 | As is | in stock |
| P-889263877 | 98 | As is | 500 mg |
| P-868079127 | 95 | As is | in stock |
| P-596561852 | 97 | As is | 10 mg |
| P-854716422 | 95 | As is | in stock |
| P-474022577 | 95 | As is | in stock |
| P-608272655 | 98 | As is | in stock |
| P-596775920 | 95 | As is | 2.74 g |
| P-855291338 | 90 | As is | in stock |
| P-867678667 | 98 | As a main component | in stock |
| P-875855976 | N/A | As a main component | in stock |
| P-903302597 | 98 | As a main component | 1.25 g |
| P-606838340 | N/A | As a main component | in stock |
| P-865931711 | 98 | As a main component | 1.25 g |
| P-872726598 | 98 | As a main component | in stock |
| P-864193865 | 95 | As a main component | in stock |
| P-580732131 | 98 | As a main component | 1.195 g |
| P-855925523 | 97 | As a main component | 250 mg |
| P-1263158134 | 95 | As a main component | in stock |
| P-904369163 | 95 | As a main component | in stock |
| P-579713057 | N/A | As a main component | in stock |
| P-589631566 | N/A | As a main component | in stock |
| P-893988296 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 278.308 |
| logP | 2.68468 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 73.95 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 80.5437 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |

