Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1925085183
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 | 17 USD | 95 | 22 working days | Get Quote |
| 5 mg | 26 USD | 95 | 22 working days | Get Quote |
| 10 mg | 42 USD | 95 | 22 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-1925085183.sdf |
| SMILES | MCULE-1925085183.smiles |
| Standard InChI | MCULE-1925085183.inchi |
| InChIKey | MCULE-1925085183.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867534214 | 95 | As is | in stock |
| P-869280084 | 95 | As is | by resynthesis (? - ? days) |
| P-872726281 | 98 | As is | in stock |
| P-893517046 | 90 | As is | 31.557 g |
| P-606842799 | N/A | As is | in stock |
| P-596925789 | 95 | As is | 770 mg |
| P-1273451953 | 95 | As is | by resynthesis (? - ? days) |
| P-1273414192 | 95 | As is | by resynthesis (? - ? days) |
| P-869494460 | 90 | As is | 372 mg |
| P-864109886 | 95 | As is | in stock |
| P-893230638 | 95 | As is | in stock |
| P-4308649 | 90 | As is | 25 mg |
| P-19988673 | 90 | As is | in stock |
| P-1274610022 | 95 | As is | by synthesis |
| P-860798687 | 98 | As is | in stock |
| P-34565827 | 90 | As is | by synthesis |
| P-862071670 | 98 | As is | 770 mg |
| P-870659188 | N/A | As is | in stock |
| P-1273109878 | 97 | As is | 100 mg |
| P-856021867 | 90 | As is | 1000 mg |
| P-629173680 | 90 | As is | by synthesis |
| P-26357900 | 90 | As is | 3 mg |
| P-34122487 | 90 | As is | in stock |
| P-453940935 | 90 | As is | 19 mg |
| P-892296026 | 95 | As is | unavailable |
| P-594274528 | 95 | As is | 150 mg |
| P-888656941 | 95 | As is | 150 mg |
| P-22637252 | 90 | As is | in stock |
| P-888434430 | 94 | As is | by resynthesis (? - ? days) |
| P-565455 | 90 | As is | 477 mg |
| P-480980853 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 282.336 |
| logP | 3.6704 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 61.69 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 84.2132 |
| Atoms | 39 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 18 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
