MCULE-9459425617
- 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 | 13 USD | 98 | 11 working days | Get Quote |
5 mg | 13 USD | 98 | 11 working days | Get Quote |
10 mg | 13 USD | 98 | 11 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.
-
1
MCULE-1434916971
- Component type: Main
-
1
MCULE-5396813937
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9459425617.sdf |
SMILES | MCULE-9459425617.smiles |
Standard InChI | MCULE-9459425617.inchi |
InChIKey | MCULE-9459425617.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-874606116 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-851575671 | AmBeed | On request | N/A | As is | by synthesis |
P-856010445 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-855352358 | Toronto Research | In stock | 90 | As is | in stock |
P-893183040 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-851550867 | AmBeed | On request | N/A | Main component | by synthesis |
P-619592917 | BLD pharm | Non-stock building blocks | 98 | Main component | by synthesis |
P-886617777 | A2B Chem | Predominantly Building Block in stock | 98 | Main component as a main component | in stock |
P-852084992 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-875770646 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
P-890159203 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
P-853432868 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
P-865921497 | Angene | Building Blocks in stock | N/A | Main component as a main component | 2.5 kg |
P-889850658 | AstaTech | Backordered BBs | 95 | Main component as a main component | by synthesis |
P-868613650 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
P-890848704 | Innovapharm | Building Blocks | 95 | Main component as a main component | in stock |
P-852467376 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
P-622582018 | Otava | Tangible screening compounds | 90 | Main component as a main component | by synthesis |
P-650818390 | Otava | Tangible screening compounds | 90 | Main component as a main component | by synthesis |
P-894007065 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 210.136 |
logP | -0.6747 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 122.69 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 27.8661 |
Atoms | 18 |
Rings | 0 |
Heavy atoms | 11 |
Hydrogen atoms | 7 |
Heteroatoms | 8 |
N/O atoms | 6 |
Inorganic atoms | 1 |
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 |