MCULE-3444027056
- 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 | 35 USD | 95 | 14 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-3444027056.sdf |
SMILES | MCULE-3444027056.smiles |
Standard InChI | MCULE-3444027056.inchi |
InChIKey | MCULE-3444027056.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892870245 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889945798 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869332614 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-19868761 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436448903 | Alinda | Building Blocks | 95 | As is | 10 g |
P-851454644 | AmBeed | On request | N/A | As is | by synthesis |
P-590758173 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-4189620 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
P-454698884 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-619276976 | ChemDiv | Discovery Chemistry Library | 90 | As is | 18 mg |
P-35177 | Chemical Block | Screening Library | 90 | As is | 20 mg |
P-868631882 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-34764995 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-502932201 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-855970657 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-31134142 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-852398950 | Matrix Scientific | All | N/A | As is | in stock |
P-854889787 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12352272 | Otava | In-House Stock Library | 90 | As is | 14 mg |
P-519778581 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-596832712 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-12329528 | Specs | Screening Compounds | 90 | As is | 17 mg |
P-502327144 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22483705 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 88 mg |
P-855302414 | Toronto Research | In stock | 90 | As is | in stock |
P-676484744 | Ultimate 3P | Express 1 | 90 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 257.259 |
logP | 3.3536 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 46.17 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 70.8087 |
Atoms | 31 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 12 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |