MCULE-7905547198-0
- 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 | 37 USD | 90 | 19 working days | Get Quote |
5 mg | 54 USD | 90 | 19 working days | Get Quote |
10 mg | 68 USD | 90 | 19 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-7905547198-0.sdf |
SMILES | MCULE-7905547198-0.smiles |
Standard InChI | MCULE-7905547198-0.inchi |
InChIKey | MCULE-7905547198-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-885995847 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-4200161 | ChemDiv | Discovery Chemistry Library | 90 | As is | 74 mg |
P-34770192 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-503059689 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-12756298 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
P-14200398 | Life Chemicals | Screening Compounds | 90 | As is | 64 mg |
P-649263408 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-34121400 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-12718785 | Specs | Screening Compounds | 90 | As is | 144 mg |
P-875285575 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 5 mg |
P-2544799 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 60 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 464.553 |
logP | 3.4964 |
H-bond acceptors | 5 |
H-bond donors | 0 |
Rotatable bonds | 6 |
PSA | 88.9 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 131.578 |
Atoms | 58 |
Rings | 4 |
Heavy atoms | 33 |
Hydrogen atoms | 25 |
Heteroatoms | 7 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |