MCULE-8810863999-0
- 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 | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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-8810863999-0.sdf |
SMILES | MCULE-8810863999-0.smiles |
Standard InChI | MCULE-8810863999-0.inchi |
InChIKey | MCULE-8810863999-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-612939228 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-19874134 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851513354 | AmBeed | On request | N/A | As is | by synthesis |
P-590799060 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-4172392 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 20 mg |
P-890201413 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 40 mg |
P-503893992 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-852393021 | Matrix Scientific | All | N/A | As is | in stock |
P-864022787 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-630964081 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-519771068 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502330440 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22453510 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 142 mg |
P-855223907 | Toronto Research | In stock | 90 | As is | in stock |
P-597024 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 20 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 255.311 |
logP | 3.5771 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 38.33 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 75.2242 |
Atoms | 36 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 17 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |