MCULE-3785020082
- 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 | 7 USD | 98 | 14 working days | Get Quote | 
| 5 mg | 7 USD | 98 | 14 working days | Get Quote | 
| 10 mg | 7 USD | 98 | 14 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-3785020082.sdf | 
| SMILES | MCULE-3785020082.smiles | 
| Standard InChI | MCULE-3785020082.inchi | 
| InChIKey | MCULE-3785020082.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-875702385 | N/A | As is | in stock | 
| P-505398711 | 98 | As is | in stock | 
| P-903026724 | 98 | As is | 200 g | 
| P-606940383 | N/A | As is | in stock | 
| P-489109189 | 97 | As is | in stock | 
| P-596981824 | 98 | As is | 175 g | 
| P-895924782 | 95 | As is | by resynthesis (? - ? days) | 
| P-864198495 | 95 | As is | in stock | 
| P-617432331 | 98 | As is | 135.4 g | 
| P-3286688 | 90 | As is | 565 mg | 
| P-425204098 | 90 | As is | in stock | 
| P-868599505 | 98 | As is | in stock | 
| P-905356501 | 97 | As is | 5 g | 
| P-889300475 | 97 | As is | in stock | 
| P-488547177 | 90 | As is | in stock | 
| P-12599806 | 95 | As is | 300 mg | 
| P-596575580 | 97 | As is | 25 g | 
| P-870640728 | 97 | As is | 998 mg | 
| P-856044828 | 90 | As is | 2 g | 
| P-31161170 | 90 | As is | 2 g | 
| P-874456012 | 95 | As is | by synthesis | 
| P-860794085 | N/A | As is | by synthesis | 
| P-855399226 | 95 | As is | in stock | 
| P-454366813 | 92 | As is | in stock | 
| P-13301651 | 92 | As is | 300 mg | 
| P-885523661 | 95 | As is | by synthesis | 
| P-23969686 | 90 | As is | in stock | 
| P-896173116 | 90 | As is | unavailable | 
| P-904094214 | 97 | As is | 19.52 g | 
| P-502365306 | 90 | As is | in stock | 
| P-22478390 | 90 | As is | 194 mg | 
| P-611365951 | 90 | As is | in stock | 
| P-3227580 | 90 | As is | 1.008 g | 
| P-2376176 | 90 | As is | 1.008 g | 
| P-615402455 | 95 | As is | in stock | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 230.215 | 
| logP | 2.0344 | 
| H-bond acceptors | 4 | 
| H-bond donors | 3 | 
| Rotatable bonds | 2 | 
| PSA | 77.76 | 
| RO5 violations | 0 | 
| RO3 violations | 2 | 
| Refractivity | 62.3855 | 
| Atoms | 27 | 
| Rings | 2 | 
| Heavy atoms | 17 | 
| Hydrogen atoms | 10 | 
| 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 | 0 | 
| Cis/trans stereo double bonds | 0 | 
| Unknown stereo double bonds | 0 | 
| Undefined stereo double bonds | 0 | 

