MCULE-9305105894
- 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 | 26 USD | 98 | 16 working days | Get Quote |
5 mg | 26 USD | 98 | 16 working days | Get Quote |
10 mg | 43 USD | 98 | 16 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-9305105894.sdf |
SMILES | MCULE-9305105894.smiles |
Standard InChI | MCULE-9305105894.inchi |
InChIKey | MCULE-9305105894.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867616699 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875777845 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-579761959 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-903120950 | Aaron Chemicals LLC | Predominantly Building Block | 99 | As is | 500 mg |
P-893617731 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 5.98 g |
P-606909533 | AmBeed | In stock | N/A | As is | in stock |
P-489219254 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596963819 | Angene | Building Blocks in stock | 99 | As is | 200 mg |
P-864150120 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-868544824 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
P-580725105 | BLD pharm | In-stock building blocks | 98 | As is | 75 mg |
P-861511568 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-579479638 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-868078868 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-524166804 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-852522993 | Matrix Scientific | All | N/A | As is | in stock |
P-854712088 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-474023119 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608271555 | Molnova | Stock | 98 | As is | in stock |
P-885536094 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-579712353 | Selleck Biotechnology GmbH | Product Catalog | N/A | As is | in stock |
P-869130734 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892291931 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888642323 | TargetMol | Screening Compounds - stock amount | 95 | As is | 87 mg |
P-906797666 | Titan Scientific | Predominantly Building Block on demand | 98 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 430.545 |
logP | 4.5661 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 8 |
PSA | 67.24 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 134.5764 |
Atoms | 62 |
Rings | 5 |
Heavy atoms | 32 |
Hydrogen atoms | 30 |
Heteroatoms | 7 |
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 |