MCULE-4509330001-0
- 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 | 99 | 20 working days | Get Quote |
| 5 mg | 6 USD | 99 | 20 working days | Get Quote |
| 10 mg | 6 USD | 99 | 20 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-4509330001-0.sdf |
| SMILES | MCULE-4509330001-0.smiles |
| Standard InChI | MCULE-4509330001-0.inchi |
| InChIKey | MCULE-4509330001-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587119 | 99 | As is | in stock |
| P-875745543 | N/A | As is | in stock |
| P-869195276 | 98 | As is | in stock |
| P-505351984 | 99 | As is | in stock |
| P-903076497 | 98 | As is | 12 kg |
| P-580247806 | 95 | As is | by synthesis |
| P-606851396 | N/A | As is | in stock |
| P-489130687 | 97 | As is | in stock |
| P-675187470 | 70 | As is | 85 mg |
| P-596954710 | 99 | As is | 5 kg |
| P-872728229 | 98 | As is | in stock |
| P-494348134 | 95 | As is | 18.39 g |
| P-864163056 | 95 | As is | in stock |
| P-580733022 | 98 | As is | 3.3 kg |
| P-893237955 | 95 | As is | in stock |
| P-666898490 | 85 | As is | 20 mg |
| P-448866067 | 90 | As is | 417 mg |
| P-452657484 | 98 | As is | in stock |
| P-578527312 | 90 | As is | in stock |
| P-34883755 | 90 | As is | in stock |
| P-868611241 | 98 | As is | in stock |
| P-34737926 | 90 | As is | by synthesis |
| P-579477819 | 95 | As is | in stock |
| P-862012144 | 95 | As is | 10.499 kg |
| P-905341175 | 95 | As is | 500 g |
| P-870655108 | N/A | As is | in stock |
| P-590341440 | 90 | As is | 11 g |
| P-890218994 | 90 | As is | in stock |
| P-505491925 | 95 | As is | in stock |
| P-488544559 | 90 | As is | in stock |
| P-427925208 | 95 | As is | 300 mg |
| P-856009814 | 95 | As is | 226 mg |
| P-856043779 | 90 | As is | unavailable |
| P-31188677 | 90 | As is | unavailable |
| P-613284933 | 95 | As is | by synthesis |
| P-860796550 | N/A | As is | 750 g |
| P-852496912 | N/A | As is | in stock |
| P-904721310 | 90 | As is | in stock |
| P-1263157301 | 95 | As is | by synthesis |
| P-854691723 | 95 | As is | in stock |
| P-608270265 | 98 | As is | in stock |
| P-26428423 | 90 | As is | 199.995 g |
| P-492279273 | 95 | As is | 199.995 g |
| P-454364166 | 92 | As is | in stock |
| P-674621652 | 92 | As is | 300 mg |
| P-500404090 | 97 | As is | by synthesis |
| P-859995245 | 95 | As is | by synthesis |
| P-19260901 | 90 | As is | in stock |
| P-617402072 | N/A | As is | in stock |
| P-453916563 | 90 | As is | 3 mg |
| P-892213768 | 95 | As is | by synthesis |
| P-869175417 | 95 | As is | in stock |
| P-892286623 | 95 | As is | 1.002 g |
| P-892310144 | 95 | As is | 1.002 g |
| P-502366181 | 90 | As is | in stock |
| P-33163626 | 90 | As is | 1000 mg |
| P-906758338 | 99 | As is | by synthesis |
| P-611481711 | 90 | As is | in stock |
| P-3226388 | 90 | As is | 2.536 g |
| P-25007163 | 90 | As is | 2.536 g |
| P-3246960 | 90 | As is | 2.536 g |
| P-480890702 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 212.199 |
| logP | 1.4106 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 64.99 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 52.8773 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |

