MCULE-9208470589
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-9208470589.sdf |
| SMILES | MCULE-9208470589.smiles |
| Standard InChI | MCULE-9208470589.inchi |
| InChIKey | MCULE-9208470589.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867611025 | 95 | As is | in stock |
| P-875770899 | N/A | As is | in stock |
| P-613845889 | 95 | As is | in stock |
| P-903110667 | 95 | As is | 2.5 g |
| P-901426791 | 95 | As is | by synthesis |
| P-492254239 | 95 | As is | in stock |
| P-868573563 | 95 | As is | in stock |
| P-502456083 | 95 | As is | by synthesis |
| P-502757162 | 90 | As is | in stock |
| P-492221702 | 95 | As is | in stock |
| P-488548207 | 90 | As is | in stock |
| P-13595894 | 95 | As is | 300 mg |
| P-596595196 | 90 | As is | 5 g |
| P-460602167 | 90 | As is | 196 mg |
| P-852387064 | N/A | As is | in stock |
| P-854845174 | 95 | As is | by synthesis |
| P-12915457 | 90 | As is | 9.994 g |
| P-492284903 | 95 | As is | 9.994 g |
| P-454371213 | 92 | As is | in stock |
| P-14036178 | 92 | As is | 300 mg |
| P-856063882 | 95 | As is | in stock |
| P-19217910 | 90 | As is | in stock |
| P-502334083 | 90 | As is | in stock |
| P-903643930 | 94 | As is | by resynthesis (? - ? days) |
| P-611567847 | 90 | As is | in stock |
| P-35124838 | 90 | As is | 110 mg |
| P-893673338 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 154.210 |
| logP | 1.5413 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 42.4 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.6984 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

