MCULE-9662885731
- 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 | 34 USD | 98 | 16 working days | Get Quote |
5 mg | 34 USD | 98 | 16 working days | Get Quote |
10 mg | 54 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.
-
MCULE-9479393614
- Component type: Main
-
MCULE-3406089350
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9662885731.sdf |
SMILES | MCULE-9662885731.smiles |
Standard InChI | MCULE-9662885731.inchi |
InChIKey | MCULE-9662885731.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886602594 | A2B Chem | Predominantly Building Block in stock | 99 | As a main component | in stock |
P-890155319 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-869267452 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-881102284 | Angene | Building Blocks in stock | 95 | As a main component | 4 g |
P-889519910 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-870660499 | Glentham Life Sciences | Compounds typically in stock | N/A | As a main component | in stock |
P-873251167 | Key Organics | Building Blocks | 97 | As a main component | 5 mg |
P-863733970 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
P-584619618 | MedKoo | In stock compounds | 95 | As a main component | in stock |
P-608274794 | Molnova | Stock | 98 | As a main component | in stock |
P-888645642 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
P-888640306 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
P-869127121 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
P-869138465 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
P-596714444 | TimTec | ActiMol 1 Week - Stock | 90 | As a main component | 3 mg |
P-855052037 | Toronto Research | In stock | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 414.537 |
logP | 1.7746 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 58.92 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 125.6476 |
Atoms | 64 |
Rings | 4 |
Heavy atoms | 30 |
Hydrogen atoms | 34 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |