MCULE-9843298388
- 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 | 5 USD | N/A | 16 working days | Get Quote |
5 mg | 5 USD | N/A | 16 working days | Get Quote |
10 mg | 5 USD | N/A | 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-8001995821
- Component type: Unknown
Name | File |
---|---|
SDF | MCULE-9843298388.sdf |
SMILES | MCULE-9843298388.smiles |
Standard InChI | MCULE-9843298388.inchi |
InChIKey | MCULE-9843298388.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867569733 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-867587975 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-579760633 | AK Scientific | Building Blocks | 40 | As is | in stock |
P-853441848 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-851838678 | AmBeed | On request | N/A | As is | by synthesis |
P-851936018 | AmBeed | In stock | N/A | As is | in stock |
P-851945898 | AmBeed | In stock | N/A | As is | in stock |
P-865910704 | Angene | Building Blocks in stock | 97 | As is | 4.5 g |
P-865907919 | Angene | Building Blocks in stock | 50 | As is | 47.475 kg |
P-864152608 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-864204730 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-862047380 | FluoroChem | General BB | N/A | As is | in stock |
P-870658760 | Glentham Life Sciences | Compounds typically in stock | 98 | As is | in stock |
P-855988186 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
P-855922294 | Key Organics | Building Blocks | 95 | As is | 1 mg |
P-856012119 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-888876822 | PharmaBlock | In stock | N/A | As is | in stock |
P-885537158 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-888642562 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869131289 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-869177356 | TargetMol | Natural Products | 95 | As is | 506 mg |
P-615410954 | eNovation Chemicals LLC | Building Blocks in stock | 50 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 356.539 |
logP | 4.9203 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 19 |
PSA | 66.76 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 106.1956 |
Atoms | 65 |
Rings | 0 |
Heavy atoms | 25 |
Hydrogen atoms | 40 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |