MCULE-2549069695
- 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 | 76 USD | N/A | 14 working days | Get Quote |
5 mg | 202 USD | 98 | 22 working days | Get Quote |
10 mg | 325 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-2549069695.sdf |
SMILES | MCULE-2549069695.smiles |
Standard InChI | MCULE-2549069695.inchi |
InChIKey | MCULE-2549069695.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867687996 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875865568 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-886888827 | AmBeed | In stock | N/A | As is | in stock |
P-888827821 | Angene | Building Blocks in stock | 98 | As is | 100 mg |
P-889779590 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-890236195 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-887183351 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-675215241 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-873251985 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-854718474 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-871073186 | MedKoo | In stock compounds | 95 | As is | in stock |
P-888169914 | Molnova | On demand | 98 | As is | by synthesis |
P-869175836 | TargetMol | Natural Products | 95 | As is | 300 mg |
P-868518812 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 635.656 |
logP | 4.4972 |
H-bond acceptors | 11 |
H-bond donors | 2 |
Rotatable bonds | 8 |
PSA | 145.86 |
RO5 violations | 2 |
RO3 violations | 5 |
Refractivity | 173.4714 |
Atoms | 76 |
Rings | 5 |
Heavy atoms | 44 |
Hydrogen atoms | 32 |
Heteroatoms | 15 |
N/O atoms | 11 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |