Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4431331798
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 | 40 USD | 98 | 14 working days | Get Quote |
| 5 mg | 40 USD | 98 | 14 working days | Get Quote |
| 10 mg | 79 USD | 98 | 14 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-2399064933
- Component type: Main
-
MCULE-1215683375
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4431331798.sdf |
| SMILES | MCULE-4431331798.smiles |
| Standard InChI | MCULE-4431331798.inchi |
| InChIKey | MCULE-4431331798.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-903309683 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 400 mg |
| P-905499771 | Bachem | Bachem Products | N/A | As is | in stock |
| P-1263155546 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-584627182 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-903018281 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As a main component | 400 mg |
| P-907562221 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As a main component | by synthesis |
| P-489139312 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
| P-579624838 | LabSeeker, Inc | Stock Collection | 98 | As a main component | 5 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 1084.237 |
| logP | 1.161 |
| H-bond acceptors | 27 |
| H-bond donors | 15 |
| Rotatable bonds | 23 |
| PSA | 512.03 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 295.6303 |
| Atoms | 140 |
| Rings | 4 |
| Heavy atoms | 75 |
| Hydrogen atoms | 65 |
| Heteroatoms | 29 |
| N/O atoms | 27 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 8 |
| R/S chiral centers | 8 |
| 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 |
