MCULE-8801298778
- 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 | 45 USD | 90 | 22 working days | Get Quote |
10 mg | 60 USD | 90 | 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-8801298778.sdf |
SMILES | MCULE-8801298778.smiles |
Standard InChI | MCULE-8801298778.inchi |
InChIKey | MCULE-8801298778.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852180103 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-901217356 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-851731480 | AmBeed | On request | N/A | As is | by synthesis |
P-596271843 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-596486510 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-591119242 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-901554778 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-3823729 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-454687168 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-15154649 | ChemDiv | Discovery Chemistry Library | 90 | As is | 8 mg |
P-436444118 | Chemical Block | Building Blocks | 90 | As is | 5.63 g |
P-341934 | Chemical Block | Screening Library | 90 | As is | 247 mg |
P-34729975 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-852403360 | Matrix Scientific | All | N/A | As is | in stock |
P-19451085 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33450551 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502340873 | TimTec | Building Block Collection | 90 | As is | in stock |
P-1135747 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 272 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 259.257 |
logP | 2.3674 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 68.65 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 68.6673 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 19 |
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 |