MCULE-1308684767
- 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 | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 52 USD | 90 | 17 working days | Get Quote |
10 mg | 67 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-1308684767.sdf |
SMILES | MCULE-1308684767.smiles |
Standard InChI | MCULE-1308684767.inchi |
InChIKey | MCULE-1308684767.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-596352394 | Asinex | General screening catalog | 90 | As is | 25 mg |
P-427954508 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-619300361 | ChemDiv | Discovery Chemistry Library | 90 | As is | 10 mg |
P-128550 | Chemical Block | Screening Library | 90 | As is | 7 mg |
P-34759066 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-492220564 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502590459 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-502444228 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-504559481 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-12582892 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
P-12306427 | Otava | In-House Stock Library | 90 | As is | 746 mg |
P-13760764 | Pharmeks LLC | Synthetic compounds | 92 | As is | 260 mg |
P-23851489 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502354929 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888357036 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-33194413 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1 mg |
P-1830000 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 278 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 278.398 |
logP | 3.1415 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 99.29 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 78.5337 |
Atoms | 32 |
Rings | 3 |
Heavy atoms | 18 |
Hydrogen atoms | 14 |
Heteroatoms | 5 |
N/O atoms | 3 |
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 |