Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8534233648
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 | 9 USD | 99 | 14 working days | Get Quote |
| 5 mg | 22 USD | 98 | 16 working days | Get Quote |
| 10 mg | 35 USD | 98 | 16 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-3032068203
- Component type: Main
-
MCULE-1972832029
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8534233648.sdf |
| SMILES | MCULE-8534233648.smiles |
| Standard InChI | MCULE-8534233648.inchi |
| InChIKey | MCULE-8534233648.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903058902 | 99 | As is | 4 g |
| P-893584490 | 90 | As is | 147.71 g |
| P-489216972 | 97 | As is | in stock |
| P-905499295 | N/A | As is | in stock |
| P-873388263 | 95 | As is | by synthesis |
| P-579480671 | 95 | As is | in stock |
| P-852467686 | N/A | As is | in stock |
| P-474020940 | 95 | As is | in stock |
| P-608275398 | 98 | As is | in stock |
| P-903096451 | 98 | As a main component | 750 mg |
| P-904368950 | 95 | As a main component | in stock |
| P-878642780 | 98 | As a main component | in stock |
| P-617401617 | N/A | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1046.178 |
| logP | 3.0695 |
| H-bond acceptors | 25 |
| H-bond donors | 14 |
| Rotatable bonds | 37 |
| PSA | 406.34 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 276.2467 |
| Atoms | 146 |
| Rings | 4 |
| Heavy atoms | 75 |
| Hydrogen atoms | 71 |
| Heteroatoms | 25 |
| N/O atoms | 25 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 9 |
| R/S chiral centers | 9 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 1 |
