MCULE-8951761444
- 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 | 49 USD | 90 | 21 working days | Get Quote |
| 5 mg | 79 USD | 90 | 21 working days | Get Quote |
| 10 mg | 95 USD | 90 | 21 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.
-
MCULE-2753193539
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8951761444.sdf |
| SMILES | MCULE-8951761444.smiles |
| Standard InChI | MCULE-8951761444.inchi |
| InChIKey | MCULE-8951761444.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867634917 | 98 | As is | in stock |
| P-875799876 | N/A | As is | in stock |
| P-613849532 | 98 | As is | in stock |
| P-903154779 | N/A | As is | 500 mg |
| P-893564330 | 90 | As is | 1.55 g |
| P-1263078839 | N/A | As is | in stock |
| P-895100750 | N/A | As is | 750 mg |
| P-872727799 | 98 | As is | in stock |
| P-866729349 | 95 | As is | unavailable |
| P-889490958 | 95 | As is | by synthesis |
| P-905614136 | 95 | As is | 450 mg |
| P-1263537562 | 95 | As is | by synthesis |
| P-872747859 | 95 | As is | by synthesis |
| P-890852464 | 90 | As is | in stock |
| P-888621592 | 95 | As is | 100 mg |
| P-888173800 | 98 | As is | by synthesis |
| P-881190668 | 90 | As is | 50 mg |
| P-505618509 | 97 | As is | in stock |
| P-873284308 | N/A | As is | in stock |
| P-869125390 | 95 | As is | by synthesis |
| P-892290686 | 95 | As is | unavailable |
| P-888638983 | 95 | As is | 151 mg |
| P-611473273 | 90 | As is | in stock |
| P-855029335 | 90 | As is | in stock |
| P-911250951 | 90 | As is | by synthesis |
| P-911250990 | 90 | As is | unavailable |
| P-893682970 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 158.199 |
| logP | 2.0871 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 17.82 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.925 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

