MCULE-9504962699
- 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 | 33 USD | 90 | 23 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-9504962699.sdf |
SMILES | MCULE-9504962699.smiles |
Standard InChI | MCULE-9504962699.inchi |
InChIKey | MCULE-9504962699.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852144036 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-890000123 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-894657812 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436462324 | Alinda | Building Blocks | 95 | As is | 5 g |
P-851389515 | AmBeed | On request | N/A | As is | by synthesis |
P-590719124 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-619933027 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-449239584 | ChemDiv | Discovery Chemistry Library | 90 | As is | 9 mg |
P-861535039 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-428587930 | Eximed | In-stock screening compounds | 90 | As is | 5.47 g |
P-594269136 | Eximed | In-stock screening compounds | 90 | As is | 99.48 g |
P-516919644 | Eximed | Building Block Catalog | 95 | As is | 5.47 g |
P-862066833 | FluoroChem | General BB | N/A | As is | in stock |
P-492246238 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502966940 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-502532115 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-855974360 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-25757772 | Life Chemicals | Screening Compounds | 90 | As is | in stock |
P-852433211 | Matrix Scientific | All | N/A | As is | in stock |
P-854840245 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-620235212 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 5.47 g |
P-674921549 | Otava | In-House Stock Library | 90 | As is | 5.47 g |
P-856064663 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 5.47 g |
P-19355419 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-855310612 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 312.369 |
logP | 3.0332 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 132.98 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 75.7385 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 12 |
Heteroatoms | 8 |
N/O atoms | 6 |
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 |