MCULE-7554044925
- 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 | 95 | 14 working days | Get Quote |
5 mg | 36 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-7554044925.sdf |
SMILES | MCULE-7554044925.smiles |
Standard InChI | MCULE-7554044925.inchi |
InChIKey | MCULE-7554044925.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867572589 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875732959 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590401842 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-436472300 | Alinda | Building Blocks | 95 | As is | 1000 g |
P-851475038 | AmBeed | On request | N/A | As is | by synthesis |
P-597007517 | Angene | Building Blocks in stock | 99 | As is | 10 g |
P-494328548 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-608123650 | Apollo Scientific | In Stock | 95 | As is | 29 g |
P-896025215 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-590825960 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-893234556 | Biosynth | In Stock | 95 | As is | in stock |
P-454728872 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-861473969 | Combi-Blocks | Building Block on demand | 97 | As is | by synthesis |
P-608219185 | Glentham Life Sciences | Compounds typically in stock | 97 | As is | in stock |
P-870661995 | Glentham Life Sciences | Compounds typically in stock | 99 | As is | in stock |
P-887771134 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-596569678 | Key Organics | Building Blocks | 97 | As is | 250 mg |
P-856079538 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
P-31197130 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-580494667 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852532315 | Matrix Scientific | All | N/A | As is | in stock |
P-35207681 | Maybridge | Screening Collection | 90 | As is | 1.228 kg |
P-854920913 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-873228208 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22529776 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 218 mg |
P-615416610 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 213.187 |
logP | 0.5046 |
H-bond acceptors | 6 |
H-bond donors | 3 |
Rotatable bonds | 4 |
PSA | 106.51 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 53.3294 |
Atoms | 26 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 11 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |