MCULE-2229877821-0
- 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 | 17 USD | 98 | 11 working days | Get Quote |
5 mg | 17 USD | 98 | 11 working days | Get Quote |
10 mg | 17 USD | 98 | 11 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-2229877821-0.sdf |
SMILES | MCULE-2229877821-0.smiles |
Standard InChI | MCULE-2229877821-0.inchi |
InChIKey | MCULE-2229877821-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-590418266 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-901423213 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-577174335 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-505594531 | Chemcia | Stock compounds | 97 | As is | in stock |
P-868621462 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580289110 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-881674679 | EDASA Scientific Limited | Synthesis Building Blocks | N/A | As is | by resynthesis (? - ? days) |
P-901370031 | FluoroChem | In Stock BB | N/A | As is | 25 g |
P-890215446 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-590337881 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
P-502459182 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-502855824 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-492220437 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-13877699 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13859682 | InterBioScreen | Screening Compounds | 95 | As is | 300 mg |
P-579621461 | LabSeeker, Inc | Stock Collection | 96 | As is | in stock |
P-601054894 | Life Chemicals | Screening Compounds | 90 | As is | 212 mg |
P-14058046 | Life Chemicals | Building Blocks | 95 | As is | 212 mg |
P-580470195 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852388495 | Matrix Scientific | All | N/A | As is | in stock |
P-454374089 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-885516388 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-19529832 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502329439 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22506575 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
P-611433966 | Toronto Research | In stock | 90 | As is | in stock |
P-35121296 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
P-464682465 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 153.135 |
logP | 0.3815 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 70.16 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 38.988 |
Atoms | 18 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 7 |
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 |