Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1612169621
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 | 59 USD | 99 | 15 working days | Get Quote |
| 5 mg | 87 USD | 90 | 17 working days | Get Quote |
| 10 mg | 124 USD | 90 | 17 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.
-
MCULE-1899813616
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1612169621.sdf |
| SMILES | MCULE-1612169621.smiles |
| Standard InChI | MCULE-1612169621.inchi |
| InChIKey | MCULE-1612169621.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867690103 | 99 | As is | in stock |
| P-875868737 | 99 | As is | in stock |
| P-874636081 | 98 | As is | by resynthesis (? - ? days) |
| P-903341899 | 99 | As is | 300 mg |
| P-893528640 | 90 | As is | 4.28 g |
| P-893302107 | 98 | As is | in stock |
| P-851943068 | N/A | As is | in stock |
| P-865935396 | 99 | As is | 100 mg |
| P-1273450482 | 95 | As is | by resynthesis (? - ? days) |
| P-864205853 | 95 | As is | in stock |
| P-615697212 | 99 | As is | 246 mg |
| P-871212934 | 95 | As is | by synthesis |
| P-868658373 | 95 | As is | in stock |
| P-854621396 | 98 | As is | in stock |
| P-901410173 | 99 | As is | 300 mg |
| P-855959360 | 97 | As is | 1 mg |
| P-854717947 | 95 | As is | in stock |
| P-871077108 | 95 | As is | in stock |
| P-878645424 | 98 | As is | in stock |
| P-1271710024 | 99 | As is | in stock |
| P-35203242 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 354.831 |
| logP | 4.2513 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 51.37 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 108.9844 |
| Atoms | 44 |
| Rings | 4 |
| Heavy atoms | 25 |
| Hydrogen atoms | 19 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
