MCULE-3653331858-0
- 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 | 38 USD | 95 | 22 working days | Get Quote |
5 mg | 50 USD | 98 | 16 working days | Get Quote |
10 mg | 78 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.
Name | File |
---|---|
SDF | MCULE-3653331858-0.sdf |
SMILES | MCULE-3653331858-0.smiles |
Standard InChI | MCULE-3653331858-0.inchi |
InChIKey | MCULE-3653331858-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867620743 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875783014 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869294705 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893607278 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 300 mg |
P-881622506 | AmBeed | On request | N/A | As is | by synthesis |
P-851929038 | AmBeed | In stock | N/A | As is | in stock |
P-619157307 | Angene | Building Blocks in stock | 98 | As is | 200 mg |
P-872723264 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864114835 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-890230605 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-608390297 | BLD pharm | In-stock building blocks | 95 | As is | 100 mg |
P-851314787 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-860800056 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-887229399 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579481390 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-870646703 | Glentham Life Sciences | Compounds typically in stock | 97 | As is | in stock |
P-852463617 | Matrix Scientific | All | N/A | As is | in stock |
P-854716826 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-474025969 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608272940 | Molnova | Stock | 98 | As is | in stock |
P-464645644 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892293492 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888652088 | TargetMol | Screening Compounds - stock amount | 95 | As is | 95 mg |
P-611530168 | Toronto Research | In stock | 90 | As is | in stock |
P-893987362 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 226.121 |
logP | -0.2703 |
H-bond acceptors | 7 |
H-bond donors | 4 |
Rotatable bonds | 6 |
PSA | 141.94 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 45.4867 |
Atoms | 25 |
Rings | 0 |
Heavy atoms | 14 |
Hydrogen atoms | 11 |
Heteroatoms | 8 |
N/O atoms | 7 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |