MCULE-3014789527
- 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 | 5 USD | 95 | 14 working days | Get Quote |
| 5 mg | 5 USD | 95 | 14 working days | Get Quote |
| 10 mg | 5 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-3014789527.sdf |
| SMILES | MCULE-3014789527.smiles |
| Standard InChI | MCULE-3014789527.inchi |
| InChIKey | MCULE-3014789527.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867565656 | 98 | As is | in stock |
| P-875724696 | N/A | As is | in stock |
| P-892782009 | 99 | As is | in stock |
| P-903053806 | 95 | As is | 22.5 kg |
| P-905480286 | 98 | As is | 10 g |
| P-606936601 | N/A | As is | in stock |
| P-489218308 | 97 | As is | in stock |
| P-596928909 | 95 | As is | 43 kg |
| P-864182762 | 95 | As is | in stock |
| P-580699076 | 98 | As is | 10.225 kg |
| P-893262216 | 95 | As is | by synthesis |
| P-868612793 | 98 | As is | in stock |
| P-580402780 | 95 | As is | by resynthesis (? - ? days) |
| P-905347111 | 95 | As is | 6.825 kg |
| P-862033113 | 95 | As is | 29.2149 kg |
| P-870652519 | 99 | As is | in stock |
| P-870655120 | N/A | As is | in stock |
| P-502528914 | 95 | As is | by synthesis |
| P-488550885 | 90 | As is | in stock |
| P-855997078 | 95 | As is | 100 mg |
| P-524195665 | 95 | As is | 1000 g |
| P-855964875 | 97 | As is | 1000 mg |
| P-613282389 | 95 | As is | by synthesis |
| P-860793450 | N/A | As is | by synthesis |
| P-852510574 | N/A | As is | in stock |
| P-428001697 | 95 | As is | 23.354 kg |
| P-902988756 | 95 | As is | by synthesis |
| P-620223789 | 95 | As is | 1000 mg |
| P-578151854 | 90 | As is | 1000 mg |
| P-454369148 | 92 | As is | in stock |
| P-1263958970 | 90 | As is | in stock |
| P-885523989 | 95 | As is | by synthesis |
| P-579399615 | 90 | As is | in stock |
| P-906900357 | 98 | As is | in stock |
| P-906867424 | 98 | As is | by synthesis |
| P-3228327 | 90 | As is | unavailable |
| P-893790903 | 95 | As is | by synthesis |
| P-480989426 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 100.116 |
| logP | 0.7119 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 25.32 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 7 |
| Hydrogen atoms | 8 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

