Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7660397181
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 | 47 USD | 90 | 24 working days | Get Quote |
| 5 mg | 69 USD | 90 | 24 working days | Get Quote |
| 10 mg | 86 USD | 90 | 24 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-7660397181.sdf |
| SMILES | MCULE-7660397181.smiles |
| Standard InChI | MCULE-7660397181.inchi |
| InChIKey | MCULE-7660397181.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886655504 | 95 | As is | in stock |
| P-1264967247 | 90 | As is | by synthesis |
| P-894639860 | 95 | As is | by resynthesis (? - ? days) |
| P-1264629822 | 95 | As is | 2.5 g |
| P-851810796 | N/A | As is | by synthesis |
| P-901470455 | 95 | As is | by synthesis |
| P-454759176 | 90 | As is | in stock |
| P-619343357 | 90 | As is | 42 mg |
| P-861291992 | 90 | As is | by synthesis |
| P-580778812 | 90 | As is | by resynthesis (? - ? days) |
| P-580768025 | 90 | As is | in stock |
| P-885398927 | 95 | As is | by synthesis |
| P-852605467 | N/A | As is | by synthesis |
| P-854880391 | 95 | As is | by synthesis |
| P-491131356 | 95 | As is | by synthesis |
| P-424836349 | 90 | As is | in stock |
| P-33490423 | 90 | As is | in stock |
| P-502344422 | 90 | As is | in stock |
| P-22501598 | 90 | As is | 1 mg |
| P-611392983 | 90 | As is | in stock |
| P-35121444 | 90 | As is | 18 mg |
| P-1271413526 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 245.073 |
| logP | 1.6076 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 50.2338 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
