MCULE-3511946630
- 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 | 33 USD | 90 | 23 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 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-3511946630.sdf |
SMILES | MCULE-3511946630.smiles |
Standard InChI | MCULE-3511946630.inchi |
InChIKey | MCULE-3511946630.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867309654 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889933009 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-615721134 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436477261 | Alinda | Building Blocks | 95 | As is | 1000 mg |
P-851823387 | AmBeed | On request | N/A | As is | by synthesis |
P-591110349 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-454668968 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-10682302 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
P-580441654 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-569192732 | Eximed | In-stock screening compounds | 90 | As is | 1.15 g |
P-569433828 | Eximed | Building Block Catalog | 95 | As is | 1.15 g |
P-502567150 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-502975754 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-492246821 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-488552890 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13809621 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-563680455 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-852457592 | Matrix Scientific | All | N/A | As is | in stock |
P-869025186 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-492280322 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.15 g |
P-34031121 | Otava | In-House Stock Library | 90 | As is | 1.15 g |
P-454373141 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-14019128 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-856066797 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 1.15 g |
P-520090518 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-611612180 | Toronto Research | In stock | 90 | As is | in stock |
P-2787680 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.011 g |
P-464683633 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.011 g |
Property | Value |
---|---|
Components | 1 |
Mass | 231.250 |
logP | 2.3242 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 70.26 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 64.8564 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 13 |
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 |