MCULE-9231535304
- 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 | 13 USD | 98 | 22 working days | Get Quote |
| 5 mg | 13 USD | 98 | 22 working days | Get Quote |
| 10 mg | 13 USD | 98 | 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-9231535304.sdf |
| SMILES | MCULE-9231535304.smiles |
| Standard InChI | MCULE-9231535304.inchi |
| InChIKey | MCULE-9231535304.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867547236 | 98 | As is | in stock |
| P-852076713 | 95 | As is | by synthesis |
| P-875704283 | 98 | As is | in stock |
| P-1268857992 | N/A | As is | by synthesis |
| P-874604507 | 98 | As is | by resynthesis (? - ? days) |
| P-588248495 | 98 | As is | by resynthesis (? - ? days) |
| P-1264511628 | 98 | As is | 2 g |
| P-893609998 | 90 | As is | 2.318 g |
| P-1270395705 | 98 | As is | in stock |
| P-893292233 | N/A | As is | in stock |
| P-904030245 | N/A | As is | by synthesis |
| P-596981893 | 98 | As is | 1000 mg |
| P-1271907157 | 99 | As is | 2 g |
| P-1273266381 | 95 | As is | by resynthesis (? - ? days) |
| P-864196865 | 95 | As is | in stock |
| P-893280740 | 98 | As is | 2.92 g |
| P-1263341234 | 95 | As is | by synthesis |
| P-893228074 | 95 | As is | in stock |
| P-34858906 | 90 | As is | in stock |
| P-861481582 | 95 | As is | by synthesis |
| P-528211148 | 95 | As is | by synthesis |
| P-596569893 | 97 | As is | 100 mg |
| P-889737653 | 95 | As is | in stock |
| P-854694022 | 95 | As is | in stock |
| P-899991124 | 95 | As is | by synthesis |
| P-878645467 | 98 | As is | in stock |
| P-888171978 | 98 | As is | by synthesis |
| P-500399366 | 98 | As is | by synthesis |
| P-500411707 | 95 | As is | by synthesis |
| P-869177558 | 95 | As is | in stock |
| P-869180321 | 95 | As is | in stock |
| P-904255785 | 95 | As is | unavailable |
| P-892295786 | 95 | As is | unavailable |
| P-904228301 | 95 | As is | 153 mg |
| P-892253267 | 95 | As is | 92 mg |
| P-904243491 | 95 | As is | 153 mg |
| P-892338172 | 95 | As is | 91 mg |
| P-596709349 | 90 | As is | 30 mg |
| P-906793880 | 98 | As is | by synthesis |
| P-906753099 | 98 | As is | by synthesis |
| P-611369543 | 90 | As is | in stock |
| P-855005689 | 90 | As is | in stock |
| P-1271684111 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 184.146 |
| logP | 0.2158 |
| H-bond acceptors | 5 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 97.99 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 43.1946 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |

