MCULE-7244792994
- 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 | 8 USD | 98 | 20 working days | Get Quote |
5 mg | 8 USD | 98 | 20 working days | Get Quote |
10 mg | 8 USD | 98 | 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-7244792994.sdf |
SMILES | MCULE-7244792994.smiles |
Standard InChI | MCULE-7244792994.inchi |
InChIKey | MCULE-7244792994.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867660297 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875829007 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-505350426 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-881671402 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893486515 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | unavailable |
P-606910908 | AmBeed | In stock | N/A | As is | in stock |
P-489195982 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596972236 | Angene | Building Blocks in stock | 98 | As is | 1.535 kg |
P-494378907 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864134960 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-584628040 | BLD pharm | In-stock building blocks | 98 | As is | 630 g |
P-893266293 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-851280930 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868582360 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580432612 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861955781 | FluoroChem | General BB | 95 | As is | in stock |
P-505517587 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-454283334 | Key Organics | Screening Compounds and Fragments | 90 | As is | 106 mg |
P-852456818 | Matrix Scientific | All | N/A | As is | in stock |
P-895222785 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-19719783 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-889866935 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-596770852 | Synthonix | In-stock Building Blocks | 90 | As is | 2.391 kg |
P-873224387 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611456171 | Toronto Research | In stock | 90 | As is | in stock |
P-2244758 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.084 g |
P-575296397 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 179.215 |
logP | 2.3351 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 52.32 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 51.8989 |
Atoms | 26 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 13 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |