MCULE-3765231838
- 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 | 24 USD | 95 | 27 working days | Get Quote |
| 5 mg | 24 USD | 95 | 27 working days | Get Quote |
| 10 mg | 24 USD | 95 | 27 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-3765231838.sdf |
| SMILES | MCULE-3765231838.smiles |
| Standard InChI | MCULE-3765231838.inchi |
| InChIKey | MCULE-3765231838.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872836125 | 95 | As is | in stock |
| P-875848475 | N/A | As is | in stock |
| P-869335060 | 95 | As is | in stock |
| P-903236795 | 95 | As is | 5 g |
| P-867716567 | N/A | As is | in stock |
| P-888825237 | 95 | As is | 3 g |
| P-895925763 | 95 | As is | by resynthesis (? - ? days) |
| P-895928883 | 95 | As is | by resynthesis (? - ? days) |
| P-895934861 | 95 | As is | by resynthesis (? - ? days) |
| P-895937196 | 95 | As is | by resynthesis (? - ? days) |
| P-895936252 | 95 | As is | by resynthesis (? - ? days) |
| P-1263772274 | 95 | As is | by synthesis |
| P-863650326 | 95 | As is | 2.185 g |
| P-887171633 | 95 | As is | by synthesis |
| P-895790577 | 95 | As is | by synthesis |
| P-906801667 | 95 | As is | by synthesis |
| P-906803465 | 95 | As is | by synthesis |
| P-906795530 | 98 | As is | by synthesis |
| P-906852110 | 95 | As is | by synthesis |
| P-906819603 | 98 | As is | by synthesis |
| P-906843668 | 95 | As is | by synthesis |
| P-906863390 | 98 | As is | by synthesis |
| P-906768678 | 95 | As is | by synthesis |
| P-906828583 | 97 | As is | by synthesis |
| P-906808625 | 90 | As is | by synthesis |
| P-906814026 | 97 | As is | by synthesis |
| P-906818132 | 98 | As is | by synthesis |
| P-906842207 | 97 | As is | by synthesis |
| P-906785891 | 98 | As is | by synthesis |
| P-906843239 | 97 | As is | by synthesis |
| P-906754152 | 99 | As is | by synthesis |
| P-906767983 | 96 | As is | by synthesis |
| P-906814334 | 95 | As is | by synthesis |
| P-906791046 | 95 | As is | by synthesis |
| P-906786441 | 97 | As is | by synthesis |
| P-906822043 | 97 | As is | by synthesis |
| P-906816412 | 98 | As is | by synthesis |
| P-906790559 | 98 | As is | by synthesis |
| P-906790562 | 98 | As is | by synthesis |
| P-906826668 | 97 | As is | by synthesis |
| P-906840750 | 98 | As is | by synthesis |
| P-906816699 | 97 | As is | by synthesis |
| P-906765515 | 98 | As is | by synthesis |
| P-906785228 | 99 | As is | by synthesis |
| P-906820053 | 98 | As is | by synthesis |
| P-906876383 | 98 | As is | by synthesis |
| P-906795253 | 98 | As is | by synthesis |
| P-906817784 | 97 | As is | by synthesis |
| P-886913211 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 248.320 |
| logP | 2.165 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 66.56 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 75.7417 |
| Atoms | 38 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 20 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

