MCULE-2931758323
- 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 | 32 USD | 95 | 15 working days | Get Quote |
| 5 mg | 32 USD | 95 | 15 working days | Get Quote |
| 10 mg | 32 USD | 95 | 15 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-2931758323.sdf |
| SMILES | MCULE-2931758323.smiles |
| Standard InChI | MCULE-2931758323.inchi |
| InChIKey | MCULE-2931758323.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890157476 | 95 | As is | in stock |
| P-590357027 | 95 | As is | by resynthesis (? - ? days) |
| P-1264571001 | 95 | As is | 5 g |
| P-904325859 | 90 | As is | 3.24 g |
| P-1266993686 | N/A | As is | in stock |
| P-489234409 | 97 | As is | in stock |
| P-895100318 | 95 | As is | unavailable |
| P-579787012 | 95 | As is | by resynthesis (? - ? days) |
| P-864178719 | 95 | As is | in stock |
| P-1267002670 | 95 | As is | 3.34 g |
| P-901482906 | 95 | As is | by synthesis |
| P-868618655 | 95 | As is | in stock |
| P-590339633 | 90 | As is | 1000 mg |
| P-890217203 | 90 | As is | in stock |
| P-492235256 | 95 | As is | in stock |
| P-502939663 | 90 | As is | in stock |
| P-454382158 | 95 | As is | 29.504 g |
| P-18800451 | 95 | As is | 29.504 g |
| P-615339472 | 90 | As is | 105 mg |
| P-852413846 | 95 | As is | by synthesis |
| P-854839053 | 95 | As is | by synthesis |
| P-424156548 | 90 | As is | 1000 mg |
| P-859994157 | 95 | As is | by synthesis |
| P-33986925 | 90 | As is | in stock |
| P-502394114 | 90 | As is | in stock |
| P-1272898960 | 94 | As is | by resynthesis (? - ? days) |
| P-611575968 | 90 | As is | in stock |
| P-893837068 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 173.171 |
| logP | 1.0798 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 47.78 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 46.7465 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

