MCULE-9690188027
- 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 | 17 working days | Get Quote |
5 mg | 50 USD | 90 | 17 working days | Get Quote |
10 mg | 64 USD | 90 | 17 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-9690188027.sdf |
SMILES | MCULE-9690188027.smiles |
Standard InChI | MCULE-9690188027.inchi |
InChIKey | MCULE-9690188027.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886563350 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-851460012 | AmBeed | On request | N/A | As is | by synthesis |
P-489182272 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-590802547 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-874500695 | ChemDiv | Discovery Chemistry Library | 90 | As is | 47 mg |
P-851295909 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-34601677 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-580418990 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-488544507 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13831885 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-596586508 | Key Organics | Building Blocks | 90 | As is | 5 g |
P-588253271 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-584614545 | MedKoo | In stock compounds | 95 | As is | in stock |
P-454364126 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-590207897 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-500401884 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-885522851 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-19539041 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-888658641 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869163261 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-22825483 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-3218782 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 3.796 g |
P-1283582 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 3.796 g |
Property | Value |
---|---|
Components | 1 |
Mass | 142.070 |
logP | -1.4209 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 0 |
PSA | 92.34 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 33.8504 |
Atoms | 12 |
Rings | 1 |
Heavy atoms | 10 |
Hydrogen atoms | 2 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |