MCULE-6669294004
- 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 | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 64 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-6669294004.sdf |
SMILES | MCULE-6669294004.smiles |
Standard InChI | MCULE-6669294004.inchi |
InChIKey | MCULE-6669294004.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867405747 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-894631682 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851864594 | AmBeed | On request | N/A | As is | by synthesis |
P-591166661 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-454757399 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-607762630 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
P-34493689 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580766387 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580777062 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-861949615 | FluoroChem | General BB | N/A | As is | in stock |
P-611666172 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-854885296 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23863015 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491129257 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502343023 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22535831 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 50 mg |
P-596528106 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.027 g |
P-1157053 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.027 g |
Property | Value |
---|---|
Components | 1 |
Mass | 319.331 |
logP | 4.8635 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 110.24 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 82.6233 |
Atoms | 33 |
Rings | 3 |
Heavy atoms | 22 |
Hydrogen atoms | 11 |
Heteroatoms | 7 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |