Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4359610221
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 | 14 USD | 97 | 15 working days | Get Quote |
| 5 mg | 14 USD | 97 | 15 working days | Get Quote |
| 10 mg | 22 USD | 97 | 15 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-3300508616
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4359610221.sdf |
| SMILES | MCULE-4359610221.smiles |
| Standard InChI | MCULE-4359610221.inchi |
| InChIKey | MCULE-4359610221.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903116136 | 98 | As is | 500 mg |
| P-893608725 | 90 | As is | 1.981 g |
| P-579480057 | 95 | As is | in stock |
| P-902978500 | 95 | As is | in stock |
| P-871070870 | 95 | As is | in stock |
| P-878643794 | 98 | As is | in stock |
| P-903343107 | 97 | As a main component | 3 g |
| P-616203798 | 97 | As a main component | 2.275 g |
| P-887325944 | 95 | As a main component | by synthesis |
| P-901411492 | 97 | As a main component | 5 g |
| P-904059666 | 95 | As a main component | by synthesis |
| P-871070869 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 507.727 |
| logP | 4.5671 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 135.15 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 141.107 |
| Atoms | 80 |
| Rings | 4 |
| Heavy atoms | 35 |
| Hydrogen atoms | 45 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 11 |
| R/S chiral centers | 11 |
| 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 |
