MCULE-1450176600
- 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 | 20 working days | Get Quote |
| 5 mg | 5 USD | 95 | 20 working days | Get Quote |
| 10 mg | 5 USD | 95 | 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-1450176600.sdf |
| SMILES | MCULE-1450176600.smiles |
| Standard InChI | MCULE-1450176600.inchi |
| InChIKey | MCULE-1450176600.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867567473 | 97 | As is | in stock |
| P-875726772 | N/A | As is | in stock |
| P-869184372 | 95 | As is | in stock |
| P-505354337 | 98 | As is | in stock |
| P-505389018 | 99 | As is | in stock |
| P-903055734 | 95 | As is | 500 g |
| P-899935751 | N/A | As is | by synthesis |
| P-851931496 | N/A | As is | in stock |
| P-596929482 | 95 | As is | 25 kg |
| P-580194977 | 98 | As is | in stock |
| P-494305432 | 95 | As is | 62.75 g |
| P-494345699 | 95 | As is | 441.5 g |
| P-864133670 | 95 | As is | in stock |
| P-901887149 | 95 | As is | by synthesis |
| P-901548109 | 95 | As is | by synthesis |
| P-893237074 | 95 | As is | in stock |
| P-505572617 | 98 | As is | in stock |
| P-454615890 | 90 | As is | in stock |
| P-3939185 | 90 | As is | 1.657 g |
| P-436448021 | 95 | As is | 10 g |
| P-425279456 | 90 | As is | in stock |
| P-19940316 | 90 | As is | in stock |
| P-851306105 | 95 | As is | by synthesis |
| P-868598440 | 98 | As is | in stock |
| P-34567349 | 90 | As is | by synthesis |
| P-864499437 | 90 | As is | in stock |
| P-905319495 | 98 | As is | 137.7 g |
| P-500418153 | N/A | As is | in stock |
| P-890204468 | 90 | As is | in stock |
| P-579484069 | 90 | As is | 3.054 g |
| P-505492229 | 95 | As is | in stock |
| P-502552799 | 95 | As is | by synthesis |
| P-870569745 | 90 | As is | in stock |
| P-492243210 | 95 | As is | in stock |
| P-890849220 | 95 | As is | in stock |
| P-488556082 | 92 | As is | in stock |
| P-488546389 | 90 | As is | in stock |
| P-454361455 | 90 | As is | 91 mg |
| P-31177472 | 90 | As is | 10 g |
| P-14071890 | 90 | As is | 400 mg |
| P-580514342 | 97 | As is | 1.375 kg |
| P-852392678 | N/A | As is | in stock |
| P-35293343 | 90 | As is | 9.885 kg |
| P-854719299 | 95 | As is | in stock |
| P-901014890 | 95 | As is | in stock |
| P-474026975 | 95 | As is | in stock |
| P-608276793 | 98 | As is | in stock |
| P-34003098 | 90 | As is | 500 mg |
| P-454366205 | 92 | As is | in stock |
| P-445283810 | 92 | As is | 300 mg |
| P-500380385 | 98 | As is | by synthesis |
| P-1263956260 | 90 | As is | in stock |
| P-1263959248 | 90 | As is | in stock |
| P-856063709 | 95 | As is | in stock |
| P-34122511 | 90 | As is | in stock |
| P-579710529 | N/A | As is | in stock |
| P-869108153 | 95 | As is | by synthesis |
| P-892286827 | 95 | As is | 1.451 g |
| P-888627189 | 95 | As is | 1.451 g |
| P-502373804 | 90 | As is | in stock |
| P-22468593 | 90 | As is | 273 mg |
| P-906777653 | 98 | As is | by synthesis |
| P-611433332 | 90 | As is | in stock |
| P-382028 | 90 | As is | 2.248 g |
| P-3220621 | 90 | As is | 2.248 g |
| P-666982584 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 253.280 |
| logP | 3.101 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 106.6 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 62.9871 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 11 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |

