MCULE-2497642329
- 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 | 97 USD | 90 | 30 working days | Get Quote |
5 mg | 109 USD | 90 | 30 working days | Get Quote |
10 mg | 121 USD | 90 | 30 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-2497642329.sdf |
SMILES | MCULE-2497642329.smiles |
Standard InChI | MCULE-2497642329.inchi |
InChIKey | MCULE-2497642329.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886649948 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889948419 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-612936056 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851578826 | AmBeed | On request | N/A | As is | by synthesis |
P-864211780 | AstaTech | Backordered BBs | 97 | As is | by synthesis |
P-590914524 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-580383572 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-862034641 | FluoroChem | General BB | 97 | As is | in stock |
P-590339989 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
P-890217558 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-563430486 | Key Organics | Building Blocks | 97 | As is | in stock |
P-613334182 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-852421304 | Matrix Scientific | All | N/A | As is | in stock |
P-854829482 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-859994376 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-611588704 | Toronto Research | In stock | 90 | As is | in stock |
P-893839620 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 192.218 |
logP | 0.575 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 71.25 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 60.2001 |
Atoms | 26 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 12 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |