MCULE-1475418689-0
- 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 | 39 USD | 90 | 22 working days | Get Quote |
5 mg | 57 USD | 90 | 22 working days | Get Quote |
10 mg | 72 USD | 90 | 22 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.
-
MCULE-9149359593-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1475418689-0.sdf |
SMILES | MCULE-1475418689-0.smiles |
Standard InChI | MCULE-1475418689-0.inchi |
InChIKey | MCULE-1475418689-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893140100 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-903316325 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 1000 mg |
P-851883152 | AmBeed | On request | N/A | As is | by synthesis |
P-596495583 | Asinex | General bb catalog | 90 | As is | unavailable |
P-591050372 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-579672927 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
P-579686185 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
P-867732773 | AmBeed | On request | N/A | As a main component | by synthesis |
P-892495379 | Asinex | General screening catalog | 90 | As a main component | 1000 mg |
P-611129227 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
P-617653862 | ChemDiv | Building Blocks on demand | 90 | As a main component | by synthesis |
P-852402097 | Matrix Scientific | All | N/A | As a main component | in stock |
P-873215993 | TimTec | Building Block Collection | 90 | As a main component | in stock |
P-903664541 | TimTec | ActiMol 4 Week - On demand | 94 | As a main component | by resynthesis (? - ? days) |
P-617721728 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As a main component | 994 mg |
P-617769267 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 994 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 187.241 |
logP | 2.8569 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 54.7 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 58.3601 |
Atoms | 27 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 13 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |