MCULE-1173542405
- 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 | 144 USD | 97 | 20 working days | Get Quote |
5 mg | 144 USD | 97 | 20 working days | Get Quote |
10 mg | 144 USD | 97 | 20 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-1173542405.sdf |
SMILES | MCULE-1173542405.smiles |
Standard InChI | MCULE-1173542405.inchi |
InChIKey | MCULE-1173542405.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-890145008 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615718939 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-893540421 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1000 mg |
P-851612547 | AmBeed | On request | N/A | As is | by synthesis |
P-489202603 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596975970 | Angene | Building Blocks in stock | 97 | As is | 500 mg |
P-889535244 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-590838694 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-861437571 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580378772 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-563395961 | Key Organics | Building Blocks | 97 | As is | 250 mg |
P-854926262 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12995532 | Specs | Screening Compounds | 90 | As is | 115 mg |
P-855234929 | Toronto Research | In stock | 90 | As is | in stock |
P-575294119 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 290.743 |
logP | 4.2274 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 64.35 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 81.3696 |
Atoms | 35 |
Rings | 2 |
Heavy atoms | 20 |
Hydrogen atoms | 15 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |