MCULE-6578012434
- 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 | 7 USD | 98 | 22 working days | Get Quote |
5 mg | 13 USD | 98 | 22 working days | Get Quote |
10 mg | 13 USD | 98 | 22 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-6578012434.sdf |
SMILES | MCULE-6578012434.smiles |
Standard InChI | MCULE-6578012434.inchi |
InChIKey | MCULE-6578012434.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867612060 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875771699 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-596962794 | Angene | Building Blocks in stock | 99 | As is | 20 g |
P-872724829 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-870662535 | Glentham Life Sciences | Compounds maintained in stock | N/A | As is | in stock |
P-890851666 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-474024552 | MedKoo | In stock compounds | 95 | As is | in stock |
P-888171141 | Molnova | On demand | 98 | As is | by synthesis |
P-881188621 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-23969742 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885523450 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-2243680 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 115 mg |
P-893736955 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 405.487 |
logP | 2.2643 |
H-bond acceptors | 8 |
H-bond donors | 4 |
Rotatable bonds | 13 |
PSA | 132.96 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 112.6557 |
Atoms | 60 |
Rings | 2 |
Heavy atoms | 29 |
Hydrogen atoms | 31 |
Heteroatoms | 8 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 3 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 3 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |