MCULE-7582322175
- 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 | 65 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-7582322175.sdf |
SMILES | MCULE-7582322175.smiles |
Standard InChI | MCULE-7582322175.inchi |
InChIKey | MCULE-7582322175.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867427676 | A2B Chem | Predominantly Building Block on demand | 97 | As is | by synthesis |
P-901212958 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-851923184 | AmBeed | On request | N/A | As is | by synthesis |
P-494415371 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-591146547 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-861483547 | Combi-Blocks | Building Block on demand | 90 | As is | by synthesis |
P-579482834 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 550 mg |
P-890203503 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-454419536 | Key Organics | Building Blocks | 97 | As is | 1.001 g |
P-454356173 | Key Organics | Screening Compounds and Fragments | 97 | As is | 1.001 g |
P-25748099 | Life Chemicals | Screening Compounds | 90 | As is | 56 mg |
P-588250413 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852487860 | Matrix Scientific | All | N/A | As is | in stock |
P-424892185 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-859955836 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-3121995 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 877 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 309.315 |
logP | 2.7763 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 68.39 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 87.4272 |
Atoms | 38 |
Rings | 3 |
Heavy atoms | 23 |
Hydrogen atoms | 15 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |