MCULE-1445985424
- 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 | 26 USD | 98 | 16 working days | Get Quote |
5 mg | 26 USD | 98 | 16 working days | Get Quote |
10 mg | 26 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-1445985424.sdf |
SMILES | MCULE-1445985424.smiles |
Standard InChI | MCULE-1445985424.inchi |
InChIKey | MCULE-1445985424.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867608533 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
P-875767604 | AA Blocks | AA Blocks | N/A | As is | in stock |
P-34862635 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-889520423 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-887184520 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-488555811 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
P-873243602 | Key Organics | Building Blocks | 97 | As is | 100 mg |
P-31180341 | LaboTest | Screening Collection | 90 | As is | 250 mg |
P-35216228 | Maybridge | Screening Collection | 90 | As is | 3.723 kg |
P-854720707 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-878639958 | Molnova | Stock | 98 | As is | in stock |
P-19622373 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-579707243 | Sinova Inc. | In-stock Building Blocks | N/A | As is | in stock |
P-888627247 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869108208 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-888443681 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-889693591 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 90 mg |
P-1857108 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 310 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 308.334 |
logP | 2.2047 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 68.92 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 88.2662 |
Atoms | 39 |
Rings | 3 |
Heavy atoms | 23 |
Hydrogen atoms | 16 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |