MCULE-4695398468-0
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 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-4695398468-0.sdf |
SMILES | MCULE-4695398468-0.smiles |
Standard InChI | MCULE-4695398468-0.inchi |
InChIKey | MCULE-4695398468-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-860639846 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-889932335 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869229477 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851669095 | AmBeed | On request | N/A | As is | by synthesis |
P-889809097 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-611102033 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-874560394 | ChemDiv | Discovery Chemistry Library | 90 | As is | in stock |
P-861392636 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-492240086 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-488548722 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13624439 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-596590619 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-588250299 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-854842396 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-454367674 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-590205265 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-23843387 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885515806 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-855227260 | Toronto Research | In stock | 90 | As is | in stock |
P-2224031 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.998 g |
P-3235326 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.998 g |
P-893804963 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 263.699 |
logP | 2.1259 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 83.06 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 58.8278 |
Atoms | 26 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 10 |
Heteroatoms | 7 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |