MCULE-4487262627
- 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 | 7 USD | 97 | 20 working days | Get Quote |
5 mg | 7 USD | 97 | 20 working days | Get Quote |
10 mg | 7 USD | 97 | 20 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-4487262627.sdf |
SMILES | MCULE-4487262627.smiles |
Standard InChI | MCULE-4487262627.inchi |
InChIKey | MCULE-4487262627.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867566365 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875726168 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869190904 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-579761824 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-580242133 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-606906256 | AmBeed | In stock | N/A | As is | in stock |
P-596947366 | Angene | Building Blocks in stock | 97 | As is | 684 g |
P-589660639 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864107617 | AstaTech | In Stock BBs | 98 | As is | in stock |
P-481176062 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 119 g |
P-590632398 | BLD pharm | In-stock building blocks | 98 | As is | 787 g |
P-893220923 | Biosynth | In Stock | 95 | As is | in stock |
P-872779923 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868601559 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580411896 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-505530623 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-502528333 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-492243263 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-31251024 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-580500450 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852454404 | Matrix Scientific | All | N/A | As is | in stock |
P-621857903 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-888861722 | PharmaBlock | In stock | N/A | As is | in stock |
P-885542752 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502364296 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611402845 | Toronto Research | In stock | 90 | As is | in stock |
P-666973080 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 140.179 |
logP | 1.3347 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 34.14 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 38.856 |
Atoms | 22 |
Rings | 1 |
Heavy atoms | 10 |
Hydrogen atoms | 12 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |