MCULE-6546712296
- 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 | 50 USD | 90 | 19 working days | Get Quote |
10 mg | 63 USD | 90 | 19 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.
-
MCULE-4400402910
- Component type: Main
-
MCULE-6239822630
- Component type: Main
Name | File |
---|---|
SDF | MCULE-6546712296.sdf |
SMILES | MCULE-6546712296.smiles |
Standard InChI | MCULE-6546712296.inchi |
InChIKey | MCULE-6546712296.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852096032 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-875790518 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590358201 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851572917 | AmBeed | On request | N/A | As is | by synthesis |
P-596514561 | Asinex | General bb catalog | 90 | As is | unavailable |
P-590814312 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-580290251 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-596591996 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-588250688 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852380543 | Matrix Scientific | All | N/A | As is | in stock |
P-864016749 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-500402774 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-19283596 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885516137 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-12508819 | Specs | Screening Compounds | 90 | As is | 27 mg |
P-502331487 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855219977 | Toronto Research | In stock | 90 | As is | in stock |
P-718595 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.993 g |
P-464674138 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.993 g |
P-867461292 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-892496575 | Asinex | General screening catalog | 90 | As a main component | 1000 mg |
P-619323379 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 15 mg |
P-34562291 | Crea-Chim | HTS compounds | 90 | As a main component | unavailable |
P-852401838 | Matrix Scientific | All | N/A | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 245.291 |
logP | 3.515 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 21.26 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 69.9537 |
Atoms | 34 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 16 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 |