MCULE-9475338942
- 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 | 36 USD | 90 | 17 working days | Get Quote |
5 mg | 36 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.
-
MCULE-7188996404
- Component type: Main
-
MCULE-5689765087
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9475338942.sdf |
SMILES | MCULE-9475338942.smiles |
Standard InChI | MCULE-9475338942.inchi |
InChIKey | MCULE-9475338942.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-854890085 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12413358 | Otava | In-House Stock Library | 90 | As is | 37 mg |
P-617322792 | Alinda | Stock Screening Compounds | 90 | As a main component | in stock |
P-851440559 | AmBeed | On request | N/A | As a main component | by synthesis |
P-590769797 | BLD pharm | Non-stock building blocks | 97 | As a main component | by synthesis |
P-619928120 | ChemDiv | Building Blocks on demand | 90 | As a main component | by synthesis |
P-861522184 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-852428698 | Matrix Scientific | All | N/A | As a main component | in stock |
P-895617569 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-617693258 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As a main component | 221 mg |
P-26434771 | Otava | In-House Stock Library | 90 | As a main component | 221 mg |
P-873226720 | TimTec | Building Block Collection | 90 | As a main component | in stock |
P-888595715 | TimTec | ActiMol 4 Week - On demand | 94 | As a main component | by resynthesis (? - ? days) |
P-611540204 | Toronto Research | In stock | 90 | As a main component | in stock |
P-893841680 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
P-893874551 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 161.204 |
logP | 2.0543 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 43.32 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 47.6724 |
Atoms | 23 |
Rings | 2 |
Heavy atoms | 12 |
Hydrogen atoms | 11 |
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 |