MCULE-5621863617-0
- 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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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-5621863617-0.sdf |
| SMILES | MCULE-5621863617-0.smiles |
| Standard InChI | MCULE-5621863617-0.inchi |
| InChIKey | MCULE-5621863617-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867310789 | 95 | As is | by synthesis |
| P-889934873 | N/A | As is | by synthesis |
| P-869196460 | 95 | As is | in stock |
| P-851538809 | N/A | As is | by synthesis |
| P-901360036 | 95 | As is | by synthesis |
| P-590914553 | 95 | As is | by synthesis |
| P-454756960 | 90 | As is | in stock |
| P-454721028 | 90 | As is | in stock |
| P-607762795 | 90 | As is | 26 mg |
| P-436464527 | 95 | As is | 23 g |
| P-861532594 | 95 | As is | by synthesis |
| P-34526081 | 90 | As is | by synthesis |
| P-580776760 | 90 | As is | by resynthesis (? - ? days) |
| P-580766107 | 90 | As is | in stock |
| P-596587190 | 90 | As is | 5 g |
| P-580480627 | N/A | As is | by synthesis |
| P-852446056 | N/A | As is | in stock |
| P-854887219 | 95 | As is | by synthesis |
| P-856063661 | 95 | As is | in stock |
| P-23857837 | 90 | As is | in stock |
| P-33466047 | 90 | As is | in stock |
| P-502342800 | 90 | As is | in stock |
| P-855225899 | 90 | As is | in stock |
| P-25155008 | 90 | As is | 3.281 g |
| P-3225020 | 90 | As is | 3.281 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 260.241 |
| logP | 2.7594 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 76.74 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 66.8408 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 12 |
| 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 |

