MCULE-4350250254
- 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 | 28 USD | 98 | 22 working days | Get Quote |
5 mg | 49 USD | 98 | 16 working days | Get Quote |
10 mg | 70 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-4350250254.sdf |
SMILES | MCULE-4350250254.smiles |
Standard InChI | MCULE-4350250254.inchi |
InChIKey | MCULE-4350250254.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886591790 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-610989873 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 3.38 g |
P-606919343 | AmBeed | In stock | N/A | As is | in stock |
P-489212845 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-580192867 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-896023254 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-868544932 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
P-580719240 | BLD pharm | In-stock building blocks | 98 | As is | 390 mg |
P-851249672 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-860798229 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-861490660 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-868078682 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-596562147 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-852503589 | Matrix Scientific | All | N/A | As is | in stock |
P-854719136 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-584620942 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608270694 | Molnova | Stock | 98 | As is | in stock |
P-885534577 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-579712538 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-869127310 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892291450 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888640458 | TargetMol | Screening Compounds - stock amount | 95 | As is | 90 mg |
P-611474881 | Toronto Research | In stock | 90 | As is | in stock |
P-666984015 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 570.685 |
logP | 2.8733 |
H-bond acceptors | 11 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 100.76 |
RO5 violations | 2 |
RO3 violations | 4 |
Refractivity | 176.3302 |
Atoms | 80 |
Rings | 6 |
Heavy atoms | 42 |
Hydrogen atoms | 38 |
Heteroatoms | 11 |
N/O atoms | 11 |
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 |