MCULE-7284681628
- 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 | 95 | 14 working days | Get Quote |
5 mg | 73 USD | 95 | 9 working days | Get Quote |
10 mg | 136 USD | 95 | 9 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-7284681628.sdf |
SMILES | MCULE-7284681628.smiles |
Standard InChI | MCULE-7284681628.inchi |
InChIKey | MCULE-7284681628.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867679598 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875857100 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869349525 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-881615989 | AmBeed | In stock | N/A | As is | in stock |
P-865932073 | Angene | Building Blocks in stock | 95 | As is | 400 mg |
P-872727454 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-889779555 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-872868351 | Axon Medchem | Axon predominantly SC catalog | 98 | As is | in stock |
P-890244831 | BLD pharm | In-stock building blocks | 95 | As is | 500 mg |
P-893267720 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-893630863 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-873249997 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-854712594 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-584623632 | MedKoo | In stock compounds | 95 | As is | in stock |
P-617404413 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-892253675 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892296170 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-892338555 | TargetMol | Screening Compounds - stock amount | 95 | As is | 100 mg |
P-893968619 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 514.625 |
logP | 3.3691 |
H-bond acceptors | 10 |
H-bond donors | 1 |
Rotatable bonds | 7 |
PSA | 157.5 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 134.8577 |
Atoms | 61 |
Rings | 5 |
Heavy atoms | 35 |
Hydrogen atoms | 26 |
Heteroatoms | 12 |
N/O atoms | 10 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |