MCULE-2027435292
- 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 | 270 USD | 95 | 42 working days | Get Quote |
| 5 mg | 292 USD | N/A | 22 working days | Get Quote |
| 10 mg | 458 USD | N/A | 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.
| Name | File |
|---|---|
| SDF | MCULE-2027435292.sdf |
| SMILES | MCULE-2027435292.smiles |
| Standard InChI | MCULE-2027435292.inchi |
| InChIKey | MCULE-2027435292.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901268305 | N/A | As is | in stock |
| P-590753942 | 97 | As is | by synthesis |
| P-1275590610 | 95 | As is | by synthesis |
| P-904063993 | 95 | As is | by synthesis |
| P-867622366 | N/A | As an isomer | in stock |
| P-892897874 | 98 | As an isomer | in stock |
| P-505394476 | 98 | As an isomer | by resynthesis (? - ? days) |
| P-851432126 | N/A | As an isomer | by synthesis |
| P-891664299 | N/A | As an isomer | by synthesis |
| P-895115979 | 98 | As an isomer | 5 mg |
| P-895098771 | 98 | As an isomer | 5 mg |
| P-1274837312 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-1274839506 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-889522671 | 95 | As an isomer | by synthesis |
| P-901547014 | 95 | As an isomer | by synthesis |
| P-524166645 | 95 | As an isomer | 10 mg |
| P-869119284 | 95 | As an isomer | unavailable |
| P-888634217 | 95 | As an isomer | unavailable |
| P-1271625067 | 98 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 370.439 |
| logP | 5.8591 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 57.53 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 114.6058 |
| Atoms | 50 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 22 |
| 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 | 2 |
| Cis/trans stereo double bonds | 2 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

