Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7052531585
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-7052531585.sdf |
| SMILES | MCULE-7052531585.smiles |
| Standard InChI | MCULE-7052531585.inchi |
| InChIKey | MCULE-7052531585.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852100747 | 97 | As is | by synthesis |
| P-1274665199 | 90 | As is | by synthesis |
| P-894642889 | 95 | As is | by resynthesis (? - ? days) |
| P-580234337 | 95 | As is | by synthesis |
| P-851878813 | N/A | As is | by synthesis |
| P-489107283 | 97 | As is | in stock |
| P-591155359 | 95 | As is | by synthesis |
| P-5918736 | 90 | As is | 10 mg |
| P-619288118 | 90 | As is | 20 mg |
| P-153415 | 90 | As is | 26 mg |
| P-34681921 | 90 | As is | by synthesis |
| P-12767464 | 92 | As is | 300 mg |
| P-454403239 | 97 | As is | 1.63 g |
| P-18813476 | 97 | As is | 1.63 g |
| P-864016580 | 95 | As is | by synthesis |
| P-492284792 | 95 | As is | 2.673 g |
| P-12914952 | 90 | As is | 2.673 g |
| P-13299103 | 92 | As is | 300 mg |
| P-23855935 | 90 | As is | in stock |
| P-873038786 | 90 | As is | 3 mg |
| P-906782970 | 95 | As is | by synthesis |
| P-855231633 | 90 | As is | in stock |
| P-1814392 | 90 | As is | 110 mg |
| P-1271724638 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 277.744 |
| logP | 3.8043 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 42.09 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 76.4467 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
