MCULE-9549774136
- 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 | 7 USD | 95 | 22 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-9549774136.sdf |
| SMILES | MCULE-9549774136.smiles |
| Standard InChI | MCULE-9549774136.inchi |
| InChIKey | MCULE-9549774136.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867666662 | 95 | As is | in stock |
| P-875835072 | N/A | As is | in stock |
| P-590380948 | 95 | As is | in stock |
| P-903211602 | 95 | As is | 5 g |
| P-1264048424 | 95 | As is | in stock |
| P-893464047 | 90 | As is | 1.23 g |
| P-606899074 | N/A | As is | in stock |
| P-489175931 | 97 | As is | in stock |
| P-675187951 | 70 | As is | 100 mg |
| P-596973946 | 95 | As is | 1000 mg |
| P-866720245 | 95 | As is | by resynthesis (? - ? days) |
| P-864119982 | 95 | As is | in stock |
| P-500414125 | 95 | As is | by synthesis |
| P-580698274 | 95 | As is | 2.7 g |
| P-893228517 | 95 | As is | in stock |
| P-448676835 | 90 | As is | 963 mg |
| P-452648810 | 98 | As is | in stock |
| P-425204116 | 90 | As is | in stock |
| P-851268332 | 95 | As is | by synthesis |
| P-861462130 | 95 | As is | by synthesis |
| P-579477862 | 95 | As is | in stock |
| P-862096501 | 97 | As is | in stock |
| P-870653905 | 90 | As is | in stock |
| P-488555660 | 92 | As is | in stock |
| P-488545484 | 90 | As is | in stock |
| P-870640185 | 97 | As is | 100 mg |
| P-596569884 | 97 | As is | 250 mg |
| P-608082023 | 98 | As is | 125 g |
| P-852437556 | N/A | As is | in stock |
| P-896629128 | 95 | As is | by synthesis |
| P-854691978 | 95 | As is | in stock |
| P-584617506 | 95 | As is | in stock |
| P-608275498 | 98 | As is | in stock |
| P-888839545 | N/A | As is | by synthesis |
| P-454365714 | 92 | As is | in stock |
| P-500375534 | 97 | As is | by synthesis |
| P-885531526 | 95 | As is | by synthesis |
| P-605216318 | 90 | As is | in stock |
| P-579711059 | N/A | As is | in stock |
| P-589631380 | N/A | As is | in stock |
| P-896073488 | N/A | As is | 26.207 g |
| P-613816401 | 95 | As is | in stock |
| P-498679104 | 97 | As is | 2.7 g |
| P-892236753 | 95 | As is | by synthesis |
| P-869176224 | 95 | As is | in stock |
| P-892292700 | 95 | As is | unavailable |
| P-892327254 | 95 | As is | 150 mg |
| P-903628072 | 94 | As is | by resynthesis (? - ? days) |
| P-594186069 | 90 | As is | 110 mg |
| P-886923064 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.141 |
| logP | 1.2042 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 70.67 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 46.53 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

