MCULE-5587237094
- 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 | 20 USD | 98 | 22 working days | Get Quote |
| 5 mg | 31 USD | 98 | 20 working days | Get Quote |
| 10 mg | 50 USD | 98 | 20 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-5587237094.sdf |
| SMILES | MCULE-5587237094.smiles |
| Standard InChI | MCULE-5587237094.inchi |
| InChIKey | MCULE-5587237094.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867604209 | 98 | As is | in stock |
| P-875762034 | N/A | As is | in stock |
| P-579761938 | 98 | As is | in stock |
| P-903098439 | 98 | As is | 1000 mg |
| P-1264046916 | 95 | As is | in stock |
| P-610974932 | 90 | As is | 34.001 g |
| P-606832467 | N/A | As is | in stock |
| P-489227059 | 97 | As is | in stock |
| P-596960050 | 98 | As is | 1.87 g |
| P-580193533 | 98 | As is | in stock |
| P-864132174 | 95 | As is | in stock |
| P-860056550 | 98 | As is | by synthesis |
| P-868544174 | 99 | As is | in stock |
| P-580719293 | 98 | As is | 750 mg |
| P-871222037 | N/A | As is | by resynthesis (? - ? days) |
| P-893235942 | 95 | As is | in stock |
| P-881633862 | 98 | As is | in stock |
| P-851260440 | 95 | As is | by synthesis |
| P-860799419 | 98 | As is | in stock |
| P-580452300 | 98 | As is | in stock |
| P-861500414 | 98 | As is | by synthesis |
| P-579479142 | 95 | As is | in stock |
| P-580392388 | N/A | As is | by resynthesis (? - ? days) |
| P-596562532 | 97 | As is | 10 mg |
| P-852531254 | N/A | As is | in stock |
| P-854714891 | 95 | As is | in stock |
| P-474026094 | 95 | As is | in stock |
| P-608275489 | 98 | As is | in stock |
| P-579711401 | N/A | As is | in stock |
| P-869122574 | 95 | As is | by synthesis |
| P-892290013 | 95 | As is | unavailable |
| P-888636915 | 95 | As is | 219 mg |
| P-906899266 | 98 | As is | in stock |
| P-480300182 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 520.624 |
| logP | 6.9952 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 77.33 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 157.7987 |
| Atoms | 71 |
| Rings | 7 |
| Heavy atoms | 39 |
| Hydrogen atoms | 32 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |

