MCULE-5472373241-0
- 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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 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-5472373241-0.sdf |
| SMILES | MCULE-5472373241-0.smiles |
| Standard InChI | MCULE-5472373241-0.inchi |
| InChIKey | MCULE-5472373241-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886620911 | N/A | As is | in stock |
| P-874655201 | 97 | As is | in stock |
| P-590392687 | 97 | As is | in stock |
| P-875905986 | N/A | As is | in stock |
| P-606927032 | N/A | As is | in stock |
| P-895099240 | 99 | As is | 900 g |
| P-596968562 | 98 | As is | 800 g |
| P-864193201 | 95 | As is | in stock |
| P-454645980 | 90 | As is | in stock |
| P-10541362 | 90 | As is | 11.995 g |
| P-578527168 | 90 | As is | in stock |
| P-862013212 | 95 | As is | 993.08 g |
| P-502476009 | 95 | As is | by synthesis |
| P-18702514 | 95 | As is | 7.921 g |
| P-454407781 | 95 | As is | 10 g |
| P-492284707 | 95 | As is | 1000 mg |
| P-12914554 | 90 | As is | 1000 mg |
| P-889862683 | 95 | As is | by synthesis |
| P-519905660 | 90 | As is | in stock |
| P-596749982 | 97 | As is | 0 mg |
| P-904228262 | 95 | As is | by synthesis |
| P-904255694 | 95 | As is | unavailable |
| P-904243454 | 95 | As is | 989 mg |
| P-23113395 | 90 | As is | in stock |
| P-502408459 | 90 | As is | in stock |
| P-903956234 | 94 | As is | by resynthesis (? - ? days) |
| P-906776207 | 98 | As is | by synthesis |
| P-611380851 | 90 | As is | in stock |
| P-424790827 | 90 | As is | 2 g |
| P-886910641 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 254.279 |
| logP | 3.3634 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 74.0908 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |

