Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1521238572
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 65 USD | 90 | 19 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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.
-
1
MCULE-7662254879
- Component type: Main
-
1
MCULE-5142506228
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1521238572.sdf |
| SMILES | MCULE-1521238572.smiles |
| Standard InChI | MCULE-1521238572.inchi |
| InChIKey | MCULE-1521238572.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-856018004 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-875792187 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-895099729 | Angene | Building Blocks in stock | 99 | Main component as a main component | 200 mg |
| P-619316051 | ChemDiv | Discovery Chemistry Library | 90 | Main component as a main component | 1 mg |
| P-873245695 | Key Organics | Building Blocks | 95 | Main component as a main component | 10 mg |
| P-13298696 | Pharmeks LLC | Semi-natural compounds | 92 | Main component as a main component | 300 mg |
| P-13267532 | Pharmeks LLC | Natural & unique compounds | 92 | Main component as a main component | 183 mg |
| P-675080600 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component as a main component | in stock |
| P-617739229 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component as a main component | 217 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 366.408 |
| logP | 2.3184 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 115.41 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 102.9008 |
| Atoms | 52 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 26 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
