MCULE-1750080124-1
- 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 | 6 USD | 97 | 20 working days | Get Quote |
5 mg | 6 USD | 97 | 20 working days | Get Quote |
10 mg | 6 USD | 97 | 20 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-1750080124-1.sdf |
SMILES | MCULE-1750080124-1.smiles |
Standard InChI | MCULE-1750080124-1.inchi |
InChIKey | MCULE-1750080124-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-866096087 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | unavailable |
P-867730122 | AmBeed | On request | N/A | As is | by synthesis |
P-596944197 | Angene | Building Blocks in stock | 97 | As is | 896.25 g |
P-611055862 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-454643328 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-619825944 | ChemDiv | Discovery Chemistry Library | 90 | As is | 10 mg |
P-34573282 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580768648 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580779517 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-579510991 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 20 g |
P-890208989 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-492227356 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-13876675 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13828150 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-852498612 | Matrix Scientific | All | N/A | As is | in stock |
P-454373609 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-33489722 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-22535076 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 20 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 140.140 |
logP | 0.5047 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 54.98 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 34.8332 |
Atoms | 18 |
Rings | 1 |
Heavy atoms | 10 |
Hydrogen atoms | 8 |
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 |