MCULE-1748099805
- 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-1748099805.sdf |
SMILES | MCULE-1748099805.smiles |
Standard InChI | MCULE-1748099805.inchi |
InChIKey | MCULE-1748099805.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867555656 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
P-875714401 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590366255 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-888730993 | AmBeed | In stock | N/A | As is | in stock |
P-596987046 | Angene | Building Blocks in stock | 98 | As is | 2.08 kg |
P-864196159 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-890241602 | BLD pharm | In-stock building blocks | 98 | As is | 2.08 kg |
P-868611271 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580271435 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862093155 | FluoroChem | General BB | N/A | As is | in stock |
P-502502695 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-12361655 | InterBioScreen | Screening Compounds | 92 | As is | 203 mg |
P-596567999 | Key Organics | Building Blocks | 97 | As is | 5 g |
P-870639974 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
P-579693172 | LabSeeker, Inc | On demand Catalog | 98 | As is | by resynthesis (? - ? days) |
P-519762187 | Maybridge | Maybridge Building Blocks | 97 | As is | 18 g |
P-35255606 | Maybridge | Screening Collection | 97 | As is | 18 kg |
P-584623445 | MedKoo | In stock compounds | 95 | As is | in stock |
P-881611050 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-500401534 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-424936848 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-888639049 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869125472 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-502371062 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22529744 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
P-611402524 | Toronto Research | In stock | 90 | As is | in stock |
P-24817744 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 50 mg |
P-615403635 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 194.183 |
logP | 1.3526 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 63.6 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 49.7073 |
Atoms | 24 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 10 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |