MCULE-9497131036
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-9497131036.sdf |
SMILES | MCULE-9497131036.smiles |
Standard InChI | MCULE-9497131036.inchi |
InChIKey | MCULE-9497131036.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867630209 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875794008 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615724327 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436450045 | Alinda | Building Blocks | 95 | As is | 6 g |
P-851806674 | AmBeed | On request | N/A | As is | by synthesis |
P-591095842 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-492248548 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-454631601 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-448836009 | ChemDiv | Discovery Chemistry Library | 90 | As is | 146 mg |
P-861529312 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34525456 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-861945853 | FluoroChem | General BB | 95 | As is | in stock |
P-890219427 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-590342003 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 4.85 g |
P-502502945 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-502796028 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-12539311 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-588711420 | Key Organics | Building Blocks | 95 | As is | unavailable |
P-852404884 | Matrix Scientific | All | N/A | As is | in stock |
P-854922001 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-445282445 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-19217853 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502339883 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22517911 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
P-611581309 | Toronto Research | In stock | 90 | As is | in stock |
P-25600718 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 165 mg |
P-893675394 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 182.223 |
logP | 0.9711 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 72.94 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 48.7441 |
Atoms | 27 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 14 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |