MCULE-9593207528
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 42 USD | 95 | 9 working days | Get Quote |
10 mg | 42 USD | 95 | 9 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-9593207528.sdf |
SMILES | MCULE-9593207528.smiles |
Standard InChI | MCULE-9593207528.inchi |
InChIKey | MCULE-9593207528.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872728207 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864187708 | AstaTech | In Stock BBs | 98 | As is | in stock |
P-893258302 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-500254168 | Diverchim | Diverchim General Catalog | N/A | As is | in stock |
P-488550971 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-579637342 | LabSeeker, Inc | On demand Catalog | 99 | As is | by resynthesis (? - ? days) |
P-856042011 | LaboTest | Building Blocks | 90 | As is | 10 g |
P-31196236 | LaboTest | Screening Collection | 90 | As is | 10 g |
P-611665203 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
P-620222364 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
P-620055722 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
P-454372163 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-605211563 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885523588 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-892303282 | TargetMol | Natural Products | 95 | As is | in stock |
P-869159107 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892294012 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-888654738 | TargetMol | Screening Compounds - stock amount | 95 | As is | 99.485 g |
P-611480601 | Toronto Research | In stock | 90 | As is | in stock |
P-2966320 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
P-3227340 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
P-480897979 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 150.174 |
logP | 1.4021 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 26.3 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 42.307 |
Atoms | 21 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 10 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |