MCULE-1107900372
- 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 | 72 USD | 95 | 10 working days | Get Quote |
5 mg | 72 USD | 95 | 10 working days | Get Quote |
10 mg | 72 USD | 95 | 10 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-1107900372.sdf |
SMILES | MCULE-1107900372.smiles |
Standard InChI | MCULE-1107900372.inchi |
InChIKey | MCULE-1107900372.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867617076 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875778302 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869182884 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-588248539 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-856048933 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-436453855 | Alinda | Building Blocks | 95 | As is | in stock |
P-851789529 | AmBeed | On request | N/A | As is | by synthesis |
P-596241688 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-596485451 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-864315488 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590965001 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-492261956 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-454638870 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-449718172 | ChemDiv | New Chemistry Library | 90 | As is | 55 mg |
P-868601391 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-861936380 | FluoroChem | General BB | 95 | As is | in stock |
P-502885784 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-502510834 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-454286951 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
P-579676207 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
P-580476454 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852402099 | Matrix Scientific | All | N/A | As is | in stock |
P-854924042 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23344089 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-502340316 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611459421 | Toronto Research | In stock | 90 | As is | in stock |
P-588840043 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
P-893664490 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 203.240 |
logP | 2.6388 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 63.93 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 59.7271 |
Atoms | 28 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 13 |
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 |