Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4663316021
Compound
Show structure
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-4663316021.sdf |
| SMILES | MCULE-4663316021.smiles |
| Standard InChI | MCULE-4663316021.inchi |
| InChIKey | MCULE-4663316021.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875705770 | N/A | As is | in stock |
| P-869194239 | 95 | As is | in stock |
| P-588248085 | 98 | As is | in stock |
| P-903030891 | 98 | As is | 700 g |
| P-866096319 | 95 | As is | 29.8 g |
| P-606883193 | N/A | As is | in stock |
| P-489157007 | 97 | As is | in stock |
| P-596940533 | 97 | As is | 600 g |
| P-494376231 | 95 | As is | by resynthesis (? - ? days) |
| P-864087675 | 97 | As is | in stock |
| P-580716134 | 98 | As is | 151 g |
| P-851244287 | 95 | As is | by synthesis |
| P-868554467 | 98 | As is | in stock |
| P-580428220 | 95 | As is | by resynthesis (? - ? days) |
| P-861963583 | 97 | As is | 136 g |
| P-905332934 | 97 | As is | 136 g |
| P-890222254 | 90 | As is | 1.1 g |
| P-865986537 | 90 | As is | 1.1 g |
| P-505525637 | 95 | As is | in stock |
| P-500157491 | 96 | As is | in stock |
| P-454300954 | 97 | As is | 5.036 g |
| P-18798143 | 95 | As is | 199.664 g |
| P-454353071 | 97 | As is | 5.017 g |
| P-454391318 | 95 | As is | 199.664 g |
| P-454417459 | 97 | As is | 5.017 g |
| P-454392719 | 97 | As is | 5.036 g |
| P-579630201 | 95 | As is | by resynthesis (? - ? days) |
| P-613279713 | 95 | As is | by synthesis |
| P-580497751 | 97 | As is | by synthesis |
| P-852413458 | N/A | As is | in stock |
| P-428002917 | 95 | As is | 191 g |
| P-854732775 | 95 | As is | in stock |
| P-870110359 | 95 | As is | by synthesis |
| P-424840945 | 90 | As is | in stock |
| P-502401223 | 90 | As is | in stock |
| P-611411886 | 90 | As is | in stock |
| P-3132266 | 90 | As is | 1.035 g |
| P-893934245 | 95 | As is | in stock |
| P-893656312 | 95 | As is | by synthesis |
| P-615395462 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 215.289 |
| logP | 1.7062 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 49.77 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 62.5618 |
| Atoms | 36 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 21 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
