MCULE-5371228300
- 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 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 66 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-5371228300.sdf |
SMILES | MCULE-5371228300.smiles |
Standard InChI | MCULE-5371228300.inchi |
InChIKey | MCULE-5371228300.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886297214 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-890057821 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-3446684 | ChemDiv | Discovery Chemistry Library | 90 | As is | 10 mg |
P-502596021 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-579682852 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
P-14080481 | Life Chemicals | Screening Compounds | 90 | As is | 45 mg |
P-26353679 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-18835016 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-453916572 | Specs | Screening Compounds | 90 | As is | 198 mg |
P-22494741 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 199 mg |
P-676483520 | Ultimate 3P | Express 1 | 90 | As is | by synthesis |
P-25008528 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 582 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 306.154 |
logP | 3.783 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 38.33 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 74.8482 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 12 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |