Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4700947143-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 22 USD | 98 | 11 working days | Get Quote |
| 5 mg | 22 USD | 98 | 11 working days | Get Quote |
| 10 mg | 22 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-4700947143-0.sdf |
| SMILES | MCULE-4700947143-0.smiles |
| Standard InChI | MCULE-4700947143-0.inchi |
| InChIKey | MCULE-4700947143-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867633771 | 98 | As is | in stock |
| P-875798029 | 98 | As is | in stock |
| P-613853416 | 95 | As is | by resynthesis (? - ? days) |
| P-893524373 | 90 | As is | 2.387 g |
| P-1270398371 | 98 | As is | in stock |
| P-580235117 | 95 | As is | by synthesis |
| P-851924561 | N/A | As is | in stock |
| P-489185039 | 97 | As is | in stock |
| P-865920562 | 98 | As is | 1000 mg |
| P-1273452306 | 95 | As is | by resynthesis (? - ? days) |
| P-1273458363 | 95 | As is | by resynthesis (? - ? days) |
| P-864154554 | 95 | As is | in stock |
| P-860055742 | 98 | As is | by synthesis |
| P-666958818 | 98 | As is | 1.686 g |
| P-900268314 | N/A | As is | by resynthesis (? - ? days) |
| P-893238437 | 95 | As is | in stock |
| P-619303180 | 90 | As is | 16 mg |
| P-452651366 | 98 | As is | in stock |
| P-1272277235 | 95 | As is | by synthesis |
| P-861343523 | 95 | As is | by synthesis |
| P-868661109 | 95 | As is | in stock |
| P-428625526 | 90 | As is | in stock |
| P-862031956 | 98 | As is | 3 g |
| P-675218347 | 95 | As is | in stock |
| P-502679114 | 90 | As is | in stock |
| P-13906364 | 92 | As is | 300 mg |
| P-855960595 | 97 | As is | 50 mg |
| P-14554981 | 90 | As is | 3 mg |
| P-35212772 | 90 | As is | in stock |
| P-896630158 | 95 | As is | by synthesis |
| P-854691385 | 95 | As is | in stock |
| P-871076405 | 95 | As is | in stock |
| P-608279845 | 98 | As is | in stock |
| P-12799952 | 90 | As is | 500 mg |
| P-13417537 | 92 | As is | 300 mg |
| P-889865117 | 95 | As is | by synthesis |
| P-424797208 | 90 | As is | in stock |
| P-869177023 | 95 | As is | in stock |
| P-892294487 | 95 | As is | unavailable |
| P-580050936 | 95 | As is | 51 mg |
| P-892336045 | 95 | As is | 51 mg |
| P-1272919035 | 94 | As is | by resynthesis (? - ? days) |
| P-33162703 | 90 | As is | 108 mg |
| P-611484337 | 90 | As is | in stock |
| P-568564 | 90 | As is | 114 mg |
| P-1271673765 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 268.263 |
| logP | 3.1742 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 59.67 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 76.435 |
| Atoms | 32 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 12 |
| 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 |
