Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8417815299
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 | 9 USD | 96 | 20 working days | Get Quote |
| 5 mg | 9 USD | 96 | 20 working days | Get Quote |
| 10 mg | 9 USD | 96 | 20 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.
-
1
MCULE-4241435740
- Component type: Main
-
1
MCULE-5889111640
- Component type: Counter Ion
-
1
MCULE-5396813937
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8417815299.sdf |
| SMILES | MCULE-8417815299.smiles |
| Standard InChI | MCULE-8417815299.inchi |
| InChIKey | MCULE-8417815299.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-855919793 | 97 | As is | 100 g |
| P-867564977 | 96 | Main component | in stock |
| P-867395890 | N/A | Main component | by synthesis |
| P-875724600 | 96 | Main component | in stock |
| P-1268962288 | N/A | Main component | by synthesis |
| P-1264051365 | 95 | Main component | in stock |
| P-1264054497 | 99 | Main component | in stock |
| P-1264058497 | 96 | Main component | in stock |
| P-1264059521 | 98 | Main component | in stock |
| P-1270297172 | 98 | Main component | in stock |
| P-606892630 | N/A | Main component | in stock |
| P-596946693 | 96 | Main component | 25 kg |
| P-1272010819 | N/A | Main component | 90 mg |
| P-1275521957 | 95 | Main component | by resynthesis (? - ? days) |
| P-1273338889 | 95 | Main component | by resynthesis (? - ? days) |
| P-864183710 | 95 | Main component | in stock |
| P-860055154 | 98 | Main component | by synthesis |
| P-666962303 | 98 | Main component | 3.25 kg |
| P-901445539 | 95 | Main component | by synthesis |
| P-901445540 | 95 | Main component | by synthesis |
| P-901496678 | 95 | Main component | by synthesis |
| P-901547605 | 95 | Main component | by synthesis |
| P-580450159 | 98 | Main component | in stock |
| P-1272063964 | 98 | Main component | in stock |
| P-889436079 | 96 | Main component | 25 kg |
| P-500417424 | 96 | Main component | in stock |
| P-870662999 | 96 | Main component | in stock |
| P-505491653 | 95 | Main component | in stock |
| P-856009283 | 99 | Main component | 1.039 g |
| P-31164835 | 90 | Main component | unavailable |
| P-856044990 | 90 | Main component | unavailable |
| P-854691400 | 95 | Main component | in stock |
| P-895184991 | 95 | Main component | in stock |
| P-608278900 | 98 | Main component | in stock |
| P-885528616 | 95 | Main component | by synthesis |
| P-605214834 | 90 | Main component | in stock |
| P-617403482 | 98 | Main component | in stock |
| P-502365486 | 90 | Main component | in stock |
| P-1272904815 | 94 | Main component | by resynthesis (? - ? days) |
| P-906775310 | 99 | Main component | by synthesis |
| P-906752358 | 98 | Main component | by synthesis |
| P-1271715075 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 586.855 |
| logP | 6.1066 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 15 |
| PSA | 109.72 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 160.272 |
| Atoms | 94 |
| Rings | 2 |
| Heavy atoms | 40 |
| Hydrogen atoms | 54 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
