Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5996427693
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 | 17 USD | 97 | 15 working days | Get Quote |
| 5 mg | 38 USD | 97 | 22 working days | Get Quote |
| 10 mg | 59 USD | 97 | 22 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-5996427693.sdf |
| SMILES | MCULE-5996427693.smiles |
| Standard InChI | MCULE-5996427693.inchi |
| InChIKey | MCULE-5996427693.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867693362 | 97 | As is | in stock |
| P-875873211 | 97 | As is | in stock |
| P-874645741 | N/A | As is | by resynthesis (? - ? days) |
| P-1264054618 | 99 | As is | in stock |
| P-893609026 | 90 | As is | 19.723 g |
| P-1270357060 | 97 | As is | in stock |
| P-888934623 | N/A | As is | in stock |
| P-895109821 | 98 | As is | 750 mg |
| P-1273260877 | 95 | As is | by resynthesis (? - ? days) |
| P-889779831 | 98 | As is | in stock |
| P-890245667 | 97 | As is | 180 mg |
| P-896543847 | 95 | As is | in stock |
| P-868659195 | 95 | As is | in stock |
| P-873244015 | 97 | As is | 5 mg |
| P-854721169 | 95 | As is | in stock |
| P-871069671 | 95 | As is | in stock |
| P-878644531 | 98 | As is | in stock |
| P-892300197 | 95 | As is | unavailable |
| P-869164145 | 95 | As is | 190 mg |
| P-888659378 | 95 | As is | 190 mg |
| P-868508180 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 325.361 |
| logP | 1.9302 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 80.2 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 89.9434 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 19 |
| Heteroatoms | 6 |
| 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 |
