MCULE-3860643399
- 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 | 6 USD | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 14 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-3860643399.sdf |
| SMILES | MCULE-3860643399.smiles |
| Standard InChI | MCULE-3860643399.inchi |
| InChIKey | MCULE-3860643399.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867586081 | 95 | As is | in stock |
| P-875744511 | N/A | As is | in stock |
| P-903075761 | 97 | As is | 500 g |
| P-905481298 | 96 | As is | 100 g |
| P-893558539 | 90 | As is | 2.42318 kg |
| P-875895702 | N/A | As is | in stock |
| P-606833603 | N/A | As is | in stock |
| P-489207890 | 97 | As is | in stock |
| P-596954250 | 95 | As is | 700 g |
| P-895944424 | 95 | As is | by resynthesis (? - ? days) |
| P-864110870 | 96 | As is | in stock |
| P-580695154 | 95 | As is | 137 g |
| P-901453558 | 95 | As is | by synthesis |
| P-851326334 | 95 | As is | by synthesis |
| P-868648904 | 95 | As is | in stock |
| P-905340451 | 97 | As is | 168 g |
| P-862006139 | 97 | As is | 168 g |
| P-494299948 | 98 | As is | in stock |
| P-855993755 | 95 | As is | 100 mg |
| P-563388186 | 95 | As is | 100 g |
| P-579623058 | 95 | As is | 5 kg |
| P-31256999 | 90 | As is | unavailable |
| P-852477602 | N/A | As is | in stock |
| P-904073272 | 95 | As is | in stock |
| P-885543806 | 95 | As is | by synthesis |
| P-474043094 | 97 | As is | in stock |
| P-535691098 | N/A | As is | in stock |
| P-873284625 | N/A | As is | in stock |
| P-596759423 | 95 | As is | 246 g |
| P-892274044 | 95 | As is | by synthesis |
| P-892299108 | 95 | As is | unavailable |
| P-892350542 | 95 | As is | 968 mg |
| P-502332080 | 90 | As is | in stock |
| P-906774427 | 97 | As is | by synthesis |
| P-906838786 | 98 | As is | by synthesis |
| P-906802448 | 97 | As is | by synthesis |
| P-906849301 | 95 | As is | by synthesis |
| P-906821672 | 97 | As is | by synthesis |
| P-906800175 | 97 | As is | by synthesis |
| P-906879070 | 99 | As is | by synthesis |
| P-906757215 | 98 | As is | by synthesis |
| P-906830178 | 95 | As is | by synthesis |
| P-906872683 | 98 | As is | by synthesis |
| P-906863000 | 98 | As is | by synthesis |
| P-906855583 | 98 | As is | by synthesis |
| P-906835951 | 97 | As is | by synthesis |
| P-906832120 | 97 | As is | by synthesis |
| P-615394704 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 174.238 |
| logP | 3.0595 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 53.7505 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 14 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |

