MCULE-9789281340-0
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 63 USD | 90 | 19 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-9789281340-0.sdf |
SMILES | MCULE-9789281340-0.smiles |
Standard InChI | MCULE-9789281340-0.inchi |
InChIKey | MCULE-9789281340-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886853138 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
P-890194210 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-878260774 | AmBeed | In stock | N/A | As is | in stock |
P-888836879 | Angene | Building Blocks in stock | 98 | As is | 1.96 g |
P-889788817 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-878234539 | BLD pharm | In-stock building blocks | 98 | As is | 1.288 g |
P-5591990 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-674232952 | ChemDiv | Discovery Chemistry Library | 90 | As is | 25 mg |
P-889730210 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34581579 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-12643444 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
P-899783174 | Key Organics | Building Blocks | 95 | As is | 1 mg |
P-895185140 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-18968277 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-892272971 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892349794 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
P-22743817 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-599382 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 261 mg |
P-886911793 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 391.419 |
logP | 4.0512 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 7 |
PSA | 89.64 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 110.9345 |
Atoms | 50 |
Rings | 4 |
Heavy atoms | 29 |
Hydrogen atoms | 21 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |