MCULE-7163412577
- 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 | 62 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-7163412577.sdf |
SMILES | MCULE-7163412577.smiles |
Standard InChI | MCULE-7163412577.inchi |
InChIKey | MCULE-7163412577.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867429965 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-894640631 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851818743 | AmBeed | On request | N/A | As is | by synthesis |
P-595588490 | Asinex | General screening catalog | 90 | As is | 171 mg |
P-596482265 | Asinex | General bb catalog | 90 | As is | 171 mg |
P-591111003 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-4339612 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
P-502501705 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-504494400 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-12653493 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
P-852383997 | Matrix Scientific | All | N/A | As is | in stock |
P-35256112 | Maybridge | Screening Collection | 90 | As is | 262 g |
P-864028909 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-519796461 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-24823049 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 39 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 286.306 |
logP | 2.3815 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 7 |
PSA | 134.94 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 67.9419 |
Atoms | 33 |
Rings | 1 |
Heavy atoms | 19 |
Hydrogen atoms | 14 |
Heteroatoms | 8 |
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 |