Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4302812691-0
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 | 54 USD | 95 | 12 working days | Get Quote |
| 5 mg | 135 USD | 95 | 12 working days | Get Quote |
| 10 mg | 169 USD | 98 | 11 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-4302812691-0.sdf |
| SMILES | MCULE-4302812691-0.smiles |
| Standard InChI | MCULE-4302812691-0.inchi |
| InChIKey | MCULE-4302812691-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867622431 | N/A | As is | in stock |
| P-875784906 | N/A | As is | in stock |
| P-874630457 | N/A | As is | by resynthesis (? - ? days) |
| P-1272347120 | 99 | As is | in stock |
| P-893595426 | 90 | As is | 161 mg |
| P-888818022 | N/A | As is | 25 mg |
| P-1273257686 | 95 | As is | by resynthesis (? - ? days) |
| P-896026120 | 95 | As is | in stock |
| P-1275107035 | N/A | As is | by resynthesis (? - ? days) |
| P-578049902 | 98 | As is | in stock |
| P-873242390 | 97 | As is | 1 mg |
| P-854693716 | 95 | As is | in stock |
| P-878644275 | 98 | As is | in stock |
| P-869179111 | 95 | As is | in stock |
| P-892301115 | 95 | As is | unavailable |
| P-892277255 | 95 | As is | 79 mg |
| P-892353222 | 95 | As is | 79 mg |
| P-855062416 | 90 | As is | in stock |
| P-855060958 | 90 | As is | in stock |
| P-868523131 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 232.188 |
| logP | 2.2534 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 72.81 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 60.771 |
| Atoms | 25 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
