MCULE-4277017281
- 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 | 90 | 17 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-4277017281.sdf |
SMILES | MCULE-4277017281.smiles |
Standard InChI | MCULE-4277017281.inchi |
InChIKey | MCULE-4277017281.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852079318 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889909222 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869347425 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436448917 | Alinda | Building Blocks | 95 | As is | 10 g |
P-19990156 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851717535 | AmBeed | On request | N/A | As is | by synthesis |
P-591043104 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-454698933 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-37628 | Chemical Block | Screening Library | 90 | As is | 3 mg |
P-868636989 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-34749465 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-862062327 | FluoroChem | General BB | N/A | As is | in stock |
P-503865053 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-596589578 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-31134132 | LaboTest | Screening Collection | 90 | As is | 1000 mg |
P-852398964 | Matrix Scientific | All | N/A | As is | in stock |
P-854922406 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-885524907 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-23897122 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-12443519 | Specs | Screening Compounds | 90 | As is | 77 mg |
P-33501624 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502358440 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888470993 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-855345124 | Toronto Research | In stock | 90 | As is | in stock |
P-676481260 | Ultimate 3P | Express 1 | 90 | As is | by synthesis |
P-3231776 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 427 mg |
P-1069795 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 427 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 253.295 |
logP | 3.5229 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 46.17 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 75.8167 |
Atoms | 34 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 15 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |