MCULE-6197289487
- 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 | 98 | 16 working days | Get Quote |
5 mg | 7 USD | 98 | 16 working days | Get Quote |
10 mg | 7 USD | 98 | 16 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-6197289487.sdf |
SMILES | MCULE-6197289487.smiles |
Standard InChI | MCULE-6197289487.inchi |
InChIKey | MCULE-6197289487.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867661214 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-535627290 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-505389087 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-869210505 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-505397997 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-436460089 | Alinda | Building Blocks | 95 | As is | in stock |
P-606951948 | AmBeed | In stock | N/A | As is | in stock |
P-489166895 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596972534 | Angene | Building Blocks in stock | 97 | As is | 2.62098 kg |
P-580196126 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-866727316 | Apollo Scientific | In Stock | 95 | As is | in stock |
P-864109573 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-454711789 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-580426976 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-889114785 | FluoroChem | In Stock BB | N/A | As is | 17.5 g |
P-500419400 | Glentham Life Sciences | Compounds typically in stock | 99 | As is | in stock |
P-505521288 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-505537269 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-856009031 | Key Organics | Biochemicals | 99 | As is | 4.954 g |
P-580464089 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-500387825 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-885533384 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-617402151 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-869176256 | TargetMol | Natural Products | 95 | As is | 2.499 g |
P-855015387 | Toronto Research | In stock | 90 | As is | in stock |
P-855347069 | Toronto Research | In stock | 90 | As is | in stock |
P-886921479 | eNovation Chemicals LLC | Building Block on demand | 97 | As is | by synthesis |
P-886916774 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 256.295 |
logP | 3.5798 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 38.69 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 76.819 |
Atoms | 35 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 16 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |