MCULE-5198854920
- 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 | 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-5198854920.sdf |
SMILES | MCULE-5198854920.smiles |
Standard InChI | MCULE-5198854920.inchi |
InChIKey | MCULE-5198854920.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852180502 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-869348191 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-34892490 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851684075 | AmBeed | On request | N/A | As is | by synthesis |
P-591073670 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-454725631 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-852449634 | Matrix Scientific | All | N/A | As is | in stock |
P-424838435 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-888580563 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-855312265 | Toronto Research | In stock | 90 | As is | in stock |
P-2231818 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.235 g |
Property | Value |
---|---|
Components | 1 |
Mass | 354.356 |
logP | 3.3414 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 94.68 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 93.5568 |
Atoms | 44 |
Rings | 3 |
Heavy atoms | 26 |
Hydrogen atoms | 18 |
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 |