MCULE-4643681304
- 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 | 96 | 14 working days | Get Quote |
| 5 mg | 6 USD | 96 | 14 working days | Get Quote |
| 10 mg | 6 USD | 96 | 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-4643681304.sdf |
| SMILES | MCULE-4643681304.smiles |
| Standard InChI | MCULE-4643681304.inchi |
| InChIKey | MCULE-4643681304.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867584791 | 96 | As is | in stock |
| P-875742897 | 96 | As is | in stock |
| P-597023091 | 95 | As is | unavailable |
| P-597020582 | 95 | As is | unavailable |
| P-1275186332 | 97 | As is | in stock |
| P-1275159026 | 95 | As is | in stock |
| P-903073443 | 96 | As is | 75 g |
| P-1270321271 | 96 | As is | in stock |
| P-580237782 | 95 | As is | by synthesis |
| P-617068317 | 97 | As is | in stock |
| P-606913264 | N/A | As is | in stock |
| P-489192583 | 97 | As is | in stock |
| P-596953829 | 96 | As is | 250 g |
| P-1275497443 | 95 | As is | 7 g |
| P-864085092 | 97 | As is | in stock |
| P-481172081 | 95 | As is | 250 mg |
| P-580725204 | 96 | As is | 157 g |
| P-901454215 | 95 | As is | by synthesis |
| P-492248547 | 95 | As is | in stock |
| P-454631598 | 90 | As is | in stock |
| P-436448961 | 95 | As is | in stock |
| P-19959681 | 90 | As is | in stock |
| P-851251059 | 95 | As is | by synthesis |
| P-861093274 | 95 | As is | in stock |
| P-868577976 | 96 | As is | in stock |
| P-34489192 | 90 | As is | by synthesis |
| P-580428325 | 95 | As is | by resynthesis (? - ? days) |
| P-516896578 | 90 | As is | in stock |
| P-905332119 | 95 | As is | 55 g |
| P-861957841 | 95 | As is | 671.93 g |
| P-505495414 | 95 | As is | in stock |
| P-502929489 | 90 | As is | in stock |
| P-488549260 | 90 | As is | in stock |
| P-13780938 | 92 | As is | 300 mg |
| P-454287268 | 90 | As is | unavailable |
| P-579616335 | 97 | As is | in stock |
| P-881166132 | 95 | As is | by synthesis |
| P-580460013 | N/A | As is | by synthesis |
| P-1272569844 | N/A | As is | 100 g |
| P-852399008 | N/A | As is | by synthesis |
| P-854731932 | 95 | As is | in stock |
| P-26396192 | 90 | As is | 500 mg |
| P-454368688 | 92 | As is | in stock |
| P-23809818 | 92 | As is | 300 mg |
| P-500371290 | 98 | As is | by synthesis |
| P-885516988 | 95 | As is | by synthesis |
| P-19573594 | 90 | As is | in stock |
| P-873285783 | N/A | As is | in stock |
| P-596758223 | 96 | As is | 189.7 g |
| P-22810943 | 90 | As is | in stock |
| P-502357821 | 90 | As is | in stock |
| P-889682358 | 90 | As is | 49 mg |
| P-1272899084 | 94 | As is | by resynthesis (? - ? days) |
| P-906778709 | 98 | As is | by synthesis |
| P-906778710 | 97 | As is | by synthesis |
| P-611385007 | 90 | As is | in stock |
| P-3229468 | 90 | As is | 2.306 g |
| P-1088214 | 90 | As is | 2.306 g |
| P-1271605785 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 181.574 |
| logP | 1.6128 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 46.17 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.1662 |
| Atoms | 16 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 4 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

