MCULE-4384995295
- 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 | 95 | 14 working days | Get Quote |
| 5 mg | 6 USD | 95 | 14 working days | Get Quote |
| 10 mg | 6 USD | 95 | 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-4384995295.sdf |
| SMILES | MCULE-4384995295.smiles |
| Standard InChI | MCULE-4384995295.inchi |
| InChIKey | MCULE-4384995295.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867576396 | 98 | As is | in stock |
| P-875736416 | 98 | As is | in stock |
| P-1275153278 | 95 | As is | in stock |
| P-1275174549 | 98 | As is | in stock |
| P-903066475 | 98 | As is | 10 kg |
| P-580237817 | 95 | As is | by synthesis |
| P-489180669 | 97 | As is | in stock |
| P-596983427 | 97 | As is | 10 kg |
| P-494346715 | 95 | As is | 67.7 g |
| P-864114093 | 95 | As is | in stock |
| P-893251784 | 95 | As is | by synthesis |
| P-505575980 | 98 | As is | in stock |
| P-454640191 | 90 | As is | in stock |
| P-868579406 | 98 | As is | in stock |
| P-580434478 | 95 | As is | by resynthesis (? - ? days) |
| P-905330458 | 97 | As is | 205 g |
| P-861935476 | 97 | As is | 2.88982 kg |
| P-901367686 | 97 | As is | 54 g |
| P-870658363 | N/A | As is | in stock |
| P-579523665 | 90 | As is | 5 g |
| P-890212459 | 90 | As is | in stock |
| P-492217666 | 95 | As is | in stock |
| P-502842137 | 90 | As is | in stock |
| P-454393218 | 95 | As is | 642.3 g |
| P-579613649 | 97 | As is | in stock |
| P-856043784 | 90 | As is | unavailable |
| P-31251403 | 90 | As is | unavailable |
| P-1267087499 | 95 | As is | 12.8 g |
| P-468062066 | 95 | As is | 226 mg |
| P-601073500 | 90 | As is | 226 mg |
| P-580487336 | N/A | As is | by synthesis |
| P-852377363 | N/A | As is | by synthesis |
| P-519757060 | 90 | As is | in stock |
| P-854728546 | 95 | As is | in stock |
| P-888760650 | 95 | As is | 5 g |
| P-12682641 | 90 | As is | 5 g |
| P-500374158 | 98 | As is | by synthesis |
| P-424820343 | 90 | As is | in stock |
| P-502352828 | 90 | As is | in stock |
| P-1272898627 | 94 | As is | by resynthesis (? - ? days) |
| P-875194394 | 90 | As is | 3 mg |
| P-875195039 | 90 | As is | 3 mg |
| P-611373294 | 90 | As is | in stock |
| P-580449874 | 97 | As is | in stock |
| P-25532912 | 90 | As is | 1.048 g |
| P-893718668 | 97 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 244.042 |
| logP | 2.6956 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 62.89 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 53.3285 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |

