Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4462239012
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 | 21 USD | 98 | 15 working days | Get Quote |
| 5 mg | 21 USD | 98 | 15 working days | Get Quote |
| 10 mg | 21 USD | 98 | 15 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-4462239012.sdf |
| SMILES | MCULE-4462239012.smiles |
| Standard InChI | MCULE-4462239012.inchi |
| InChIKey | MCULE-4462239012.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869254820 | 95 | As is | by resynthesis (? - ? days) |
| P-505401898 | 95 | As is | by resynthesis (? - ? days) |
| P-1264050162 | 100 | As is | in stock |
| P-1270328929 | 98 | As is | in stock |
| P-851941476 | N/A | As is | in stock |
| P-489215934 | 97 | As is | in stock |
| P-1273261747 | 95 | As is | by resynthesis (? - ? days) |
| P-864144620 | 95 | As is | in stock |
| P-860056658 | 98 | As is | by synthesis |
| P-868545019 | 99 | As is | in stock |
| P-611004870 | 98 | As is | 280 mg |
| P-851278826 | 95 | As is | by synthesis |
| P-860799248 | 98 | As is | in stock |
| P-861379460 | 95 | As is | by synthesis |
| P-579480158 | 95 | As is | in stock |
| P-505549956 | 95 | As is | in stock |
| P-524167167 | 95 | As is | 10 mg |
| P-1279079675 | N/A | As is | by synthesis |
| P-854716833 | 95 | As is | in stock |
| P-474026868 | 95 | As is | in stock |
| P-608272528 | 98 | As is | in stock |
| P-889882119 | 95 | As is | by synthesis |
| P-579712788 | 98 | As is | in stock |
| P-892289997 | 95 | As is | unavailable |
| P-869122478 | 95 | As is | 46 mg |
| P-888636840 | 95 | As is | 31 mg |
| P-611430875 | 90 | As is | in stock |
| P-1279152130 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 626.627 |
| logP | 9.04 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 9 |
| PSA | 88.28 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 162.148 |
| Atoms | 71 |
| Rings | 4 |
| Heavy atoms | 39 |
| Hydrogen atoms | 32 |
| Heteroatoms | 8 |
| N/O atoms | 5 |
| 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 |
