MCULE-1022471834
- 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 | 36 USD | 90 | 21 working days | Get Quote |
5 mg | 36 USD | 90 | 21 working days | Get Quote |
10 mg | 41 USD | 90 | 21 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-1022471834.sdf |
SMILES | MCULE-1022471834.smiles |
Standard InChI | MCULE-1022471834.inchi |
InChIKey | MCULE-1022471834.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892855935 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-901259316 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590384992 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-19879955 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-851660945 | AmBeed | On request | N/A | As is | by synthesis |
P-489238427 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-590866842 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-449230665 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
P-868584085 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-34779074 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-502920231 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-855934013 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
P-852459925 | Matrix Scientific | All | N/A | As is | in stock |
P-854836741 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-621860344 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-34135520 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-453959188 | Specs | Screening Compounds | 90 | As is | 16 mg |
P-22486374 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 110 mg |
P-611450293 | Toronto Research | In stock | 90 | As is | in stock |
P-25596554 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | unavailable |
Property | Value |
---|---|
Components | 1 |
Mass | 231.289 |
logP | 3.3758 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 54.55 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 56.7167 |
Atoms | 29 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 14 |
Heteroatoms | 5 |
N/O atoms | 3 |
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 |