Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3576670015
Compound
Show structures
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 | 33 USD | 95 | 14 working days | Get Quote |
| 5 mg | 33 USD | 95 | 14 working days | Get Quote |
| 10 mg | 35 USD | 98 | 16 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-7177126812
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3576670015.sdf |
| SMILES | MCULE-3576670015.smiles |
| Standard InChI | MCULE-3576670015.inchi |
| InChIKey | MCULE-3576670015.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-597018353 | 95 | As is | unavailable |
| P-1275165078 | 98 | As is | in stock |
| P-893466146 | 90 | As is | 6.446 g |
| P-1273267795 | 95 | As is | by resynthesis (? - ? days) |
| P-895957897 | 95 | As is | 25 g |
| P-596660152 | 95 | As is | 3.3 g |
| P-666959741 | 98 | As is | 2.215 g |
| P-893218800 | 95 | As is | in stock |
| P-868660281 | 95 | As is | in stock |
| P-870653106 | N/A | As is | in stock |
| P-1273110117 | 97 | As is | 100 mg |
| P-905146627 | 95 | As is | by synthesis |
| P-854714989 | 95 | As is | in stock |
| P-584614510 | 95 | As is | in stock |
| P-878644361 | 98 | As is | in stock |
| P-1263955800 | 90 | As is | in stock |
| P-889876510 | 95 | As is | by synthesis |
| P-892288641 | 95 | As is | unavailable |
| P-869117718 | 95 | As is | 153 mg |
| P-888632891 | 95 | As is | 153 mg |
| P-906878341 | 99 | As is | by synthesis |
| P-892862098 | 99 | Main component | in stock |
| P-890155045 | 99 | Main component | in stock |
| P-851701500 | N/A | Main component | by synthesis |
| P-865918102 | 99 | Main component | 100 mg |
| P-1274815902 | 95 | Main component | by resynthesis (? - ? days) |
| P-591109611 | 99 | Main component | by synthesis |
| P-871217701 | 95 | Main component | by synthesis |
| P-895208106 | 95 | Main component | by synthesis |
| P-892259489 | 95 | Main component | unavailable |
| P-892341698 | 95 | Main component | unavailable |
| P-611445778 | 90 | Main component | in stock |
| P-893970296 | 95 | Main component | in stock |
| P-864208787 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 581.710 |
| logP | 8.6046 |
| H-bond acceptors | 10 |
| H-bond donors | 10 |
| Rotatable bonds | 27 |
| PSA | 167.58 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 172.199 |
| Atoms | 96 |
| Rings | 0 |
| Heavy atoms | 38 |
| Hydrogen atoms | 58 |
| Heteroatoms | 12 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 4 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 4 |
