MCULE-2985739151
- 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 | 23 USD | N/A | 14 working days | Get Quote |
5 mg | 23 USD | N/A | 14 working days | Get Quote |
10 mg | 23 USD | N/A | 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-2985739151.sdf |
SMILES | MCULE-2985739151.smiles |
Standard InChI | MCULE-2985739151.inchi |
InChIKey | MCULE-2985739151.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875763528 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615720555 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-893506425 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 110.56 g |
P-856053322 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-617063050 | Allbio Pharm | In stock | N/A | As is | in stock |
P-899962927 | AmBeed | In stock | N/A | As is | in stock |
P-489225781 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-437467503 | AnalytiCon Discovery | Natural screening compounds (85%+) | 85 | As is | 12 mg |
P-596976723 | Angene | Building Blocks in stock | 95 | As is | 2 g |
P-864127765 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-591067329 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-893245452 | Biosynth | In Stock | 95 | As is | in stock |
P-619932357 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-452660869 | Chemfaces | Natural Compounds | 98 | As is | in stock |
P-861501158 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580421465 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862049121 | FluoroChem | General BB | 95 | As is | in stock |
P-596575740 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-563425332 | Key Organics | Building Blocks | 95 | As is | 250 mg |
P-563592670 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-579623492 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-852492924 | Matrix Scientific | All | N/A | As is | in stock |
P-895170976 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-888860086 | PharmaBlock | In stock | N/A | As is | in stock |
P-870517657 | Synthonix | In-stock Building Blocks | 95 | As is | unavailable |
P-892309326 | TargetMol | Natural Products | 95 | As is | in stock |
P-892282450 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892355880 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
P-615394978 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 154.166 |
logP | -0.6261 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 49.41 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 45.4627 |
Atoms | 21 |
Rings | 2 |
Heavy atoms | 11 |
Hydrogen atoms | 10 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |