Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5232016425
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 | 35 USD | 95 | 12 working days | Get Quote |
| 5 mg | 35 USD | 95 | 12 working days | Get Quote |
| 10 mg | 58 USD | 95 | 12 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-5232016425.sdf |
| SMILES | MCULE-5232016425.smiles |
| Standard InChI | MCULE-5232016425.inchi |
| InChIKey | MCULE-5232016425.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886530345 | N/A | As is | in stock |
| P-890140965 | 99 | As is | in stock |
| P-892791878 | 95 | As is | by resynthesis (? - ? days) |
| P-903032972 | 99 | As is | 75 mg |
| P-893461715 | 90 | As is | 1.806 g |
| P-1270362207 | 99 | As is | in stock |
| P-889752056 | N/A | As is | in stock |
| P-892187346 | 99 | As is | 50 mg |
| P-1273266674 | 95 | As is | by resynthesis (? - ? days) |
| P-896027882 | 95 | As is | in stock |
| P-890240966 | 99 | As is | 82 mg |
| P-3872979 | 90 | As is | 10 mg |
| P-454738073 | 90 | As is | in stock |
| P-619340827 | 90 | As is | 495 mg |
| P-436478095 | 95 | As is | in stock |
| P-861525133 | 95 | As is | by synthesis |
| P-855979514 | 99 | As is | 5 mg |
| P-1272599708 | N/A | As is | 500 mg |
| P-852536371 | N/A | As is | by synthesis |
| P-854719313 | 95 | As is | in stock |
| P-892296628 | 95 | As is | unavailable |
| P-892254370 | 95 | As is | 11.502 g |
| P-892339110 | 95 | As is | 11.502 g |
| P-855356603 | 90 | As is | in stock |
| P-1271689961 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 248.663 |
| logP | 3.2498 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 62.22 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 65.75 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
