MCULE-6102974633
- 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 | 90 | 17 working days | Get Quote |
5 mg | 50 USD | 90 | 17 working days | Get Quote |
10 mg | 64 USD | 90 | 17 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-6102974633.sdf |
SMILES | MCULE-6102974633.smiles |
Standard InChI | MCULE-6102974633.inchi |
InChIKey | MCULE-6102974633.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872841777 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875879117 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-870136396 | AmBeed | In stock | N/A | As is | in stock |
P-888831866 | Angene | Building Blocks in stock | 95 | As is | 250 mg |
P-596509825 | Asinex | General bb catalog | 90 | As is | 93 mg |
P-596310361 | Asinex | General screening catalog | 90 | As is | 93 mg |
P-889788154 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-869376191 | BLD pharm | In-stock building blocks | 95 | As is | 250 mg |
P-4782318 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
P-619340493 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
P-889732273 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-888624347 | Key Organics | Building Blocks | 95 | As is | 1 mg |
P-18954327 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-12558924 | Specs | Screening Compounds | 90 | As is | 153 mg |
P-22817718 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-544438 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 345 mg |
P-886910206 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 346.378 |
logP | 3.4311 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 7 |
PSA | 89.65 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 90.0728 |
Atoms | 39 |
Rings | 3 |
Heavy atoms | 24 |
Hydrogen atoms | 15 |
Heteroatoms | 7 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 0 |
R/S chiral centers | 0 |
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 |