Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6240836799-0
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 | 28 USD | 98 | 16 working days | Get Quote |
| 5 mg | 28 USD | 98 | 16 working days | Get Quote |
| 10 mg | 50 USD | 98 | 16 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-6240836799-0.sdf |
| SMILES | MCULE-6240836799-0.smiles |
| Standard InChI | MCULE-6240836799-0.inchi |
| InChIKey | MCULE-6240836799-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867612009 | 98 | As is | in stock |
| P-875772669 | 98 | As is | in stock |
| P-613854113 | 98 | As is | by resynthesis (? - ? days) |
| P-872722376 | 98 | As is | in stock |
| P-1264046779 | 98 | As is | in stock |
| P-893514760 | 90 | As is | 20.569 g |
| P-1270385036 | 98 | As is | in stock |
| P-606898691 | N/A | As is | in stock |
| P-596985070 | 98 | As is | 100 mg |
| P-1273267058 | 95 | As is | by resynthesis (? - ? days) |
| P-1273281744 | 95 | As is | by resynthesis (? - ? days) |
| P-864193254 | 95 | As is | in stock |
| P-605424073 | 98 | As is | 244 mg |
| P-901505915 | 95 | As is | by synthesis |
| P-881633774 | 98 | As is | in stock |
| P-851242417 | 95 | As is | by synthesis |
| P-860798019 | 98 | As is | in stock |
| P-861379910 | 95 | As is | by synthesis |
| P-868659149 | 95 | As is | in stock |
| P-580306754 | 95 | As is | by resynthesis (? - ? days) |
| P-854621908 | 98 | As is | in stock |
| P-505546783 | 95 | As is | in stock |
| P-596561875 | 97 | As is | 5 mg |
| P-1272597026 | 95 | As is | 250 mg |
| P-852520765 | 95 | As is | by synthesis |
| P-854721802 | 95 | As is | in stock |
| P-474028005 | 95 | As is | in stock |
| P-608269838 | 98 | As is | in stock |
| P-885533841 | 95 | As is | by synthesis |
| P-579710030 | N/A | As is | in stock |
| P-892297523 | 95 | As is | unavailable |
| P-869162408 | 95 | As is | 189 mg |
| P-888657773 | 95 | As is | 189 mg |
| P-611481085 | 90 | As is | in stock |
| P-893949130 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 495.531 |
| logP | 2.9874 |
| H-bond acceptors | 12 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 123.94 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 138.7477 |
| Atoms | 65 |
| Rings | 5 |
| Heavy atoms | 36 |
| Hydrogen atoms | 29 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| 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 |
