MCULE-3898554900
- 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 | 62 USD | 98 | 20 working days | Get Quote |
| 5 mg | 62 USD | 98 | 20 working days | Get Quote |
| 10 mg | 62 USD | 98 | 20 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-3898554900.sdf |
| SMILES | MCULE-3898554900.smiles |
| Standard InChI | MCULE-3898554900.inchi |
| InChIKey | MCULE-3898554900.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886598120 | 97 | As is | in stock |
| P-901267542 | 98 | As is | in stock |
| P-869245856 | 95 | As is | by resynthesis (? - ? days) |
| P-903131176 | 98 | As is | 50 g |
| P-1270314476 | 98 | As is | in stock |
| P-900259005 | N/A | As is | in stock |
| P-900246347 | 98 | As is | 10 g |
| P-1273381940 | 95 | As is | by resynthesis (? - ? days) |
| P-869992579 | 90 | As is | 1000 mg |
| P-905463474 | 95 | As is | in stock |
| P-454731360 | 90 | As is | in stock |
| P-577187674 | 90 | As is | 8 mg |
| P-37764 | 90 | As is | 281 mg |
| P-436472782 | 95 | As is | in stock |
| P-34886883 | 90 | As is | in stock |
| P-868633326 | 97 | As is | in stock |
| P-34800738 | 90 | As is | by synthesis |
| P-862069589 | 98 | As is | 10 g |
| P-855977263 | 98 | As is | 1000 mg |
| P-31231494 | 90 | As is | 200 mg |
| P-852532751 | N/A | As is | by synthesis |
| P-854917822 | 95 | As is | by synthesis |
| P-19532555 | 90 | As is | in stock |
| P-33437068 | 90 | As is | in stock |
| P-873228654 | 90 | As is | in stock |
| P-888448449 | 94 | As is | by resynthesis (? - ? days) |
| P-906896053 | 98 | As is | by synthesis |
| P-855216139 | 90 | As is | in stock |
| P-1271686745 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 239.096 |
| logP | 0.0106 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 40.62 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 62.07 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 12 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

