MCULE-3249771041
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 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-3249771041.sdf |
SMILES | MCULE-3249771041.smiles |
Standard InChI | MCULE-3249771041.inchi |
InChIKey | MCULE-3249771041.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-596513251 | Asinex | General bb catalog | 90 | As is | 134 mg |
P-596379531 | Asinex | General screening catalog | 90 | As is | 134 mg |
P-4925215 | ChemDiv | Discovery Chemistry Library | 90 | As is | 20 mg |
P-102724 | Chemical Block | Screening Library | 90 | As is | 1.777 g |
P-34672173 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-12453380 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-13659873 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-13318510 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-24026689 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-453988079 | Specs | Screening Compounds | 90 | As is | 19 mg |
P-33447427 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-2174032 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 374.392 |
logP | 4.01238 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 106.18 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 102.4351 |
Atoms | 46 |
Rings | 4 |
Heavy atoms | 28 |
Hydrogen atoms | 18 |
Heteroatoms | 7 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |