MCULE-7996044975
- 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 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 64 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-1116286898
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7996044975.sdf |
SMILES | MCULE-7996044975.smiles |
Standard InChI | MCULE-7996044975.inchi |
InChIKey | MCULE-7996044975.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893005345 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-454688616 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-15156751 | ChemDiv | Discovery Chemistry Library | 90 | As is | 13 mg |
P-436444606 | Chemical Block | Building Blocks | 90 | As is | 10 g |
P-350392 | Chemical Block | Screening Library | 90 | As is | 92 mg |
P-34732354 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-24066953 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502341274 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22532964 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 40 mg |
P-2146746 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 105 mg |
P-892982134 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-874627771 | AK Scientific | Building Blocks | 97 | As a main component | in stock |
P-675446195 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
P-502442191 | Innovapharm | Building Blocks | 95 | As a main component | in stock |
P-892828245 | Life Chemicals | Screening Compounds | 90 | As a main component | 248 mg |
P-25839657 | Life Chemicals | Building Blocks | 95 | As a main component | 248 mg |
P-854910177 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-855251630 | Toronto Research | In stock | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 230.309 |
logP | 1.2452 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 33.09 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 76.6027 |
Atoms | 35 |
Rings | 3 |
Heavy atoms | 17 |
Hydrogen atoms | 18 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |