Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4865304596-0
Structure
Show compound
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 | 70 USD | 90 | 22 working days | Get Quote |
| 5 mg | 78 USD | 98 | 11 working days | Get Quote |
| 10 mg | 78 USD | 98 | 11 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.
| Name | File |
|---|---|
| SDF | MCULE-4865304596-0.sdf |
| SMILES | MCULE-4865304596-0.smiles |
| Standard InChI | MCULE-4865304596-0.inchi |
| InChIKey | MCULE-4865304596-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-889934954 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-436452371 | Alinda | Building Blocks | 95 | As is | in stock |
| P-851893631 | AmBeed | On request | N/A | As is | by synthesis |
| P-591106444 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-427950947 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-893361061 | ChemDiv | Pre-weighted stock BB | 90 | As is | 1000 mg |
| P-454615819 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-3301543 | ChemDiv | Discovery Chemistry Library | 90 | As is | 208 mg |
| P-870586740 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-504608528 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-488550117 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13747507 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-855971625 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-852406444 | Matrix Scientific | All | N/A | As is | in stock |
| P-854831913 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-644821918 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-454371951 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-23796945 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-19577222 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.213 |
| logP | 1.7309 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 97.95 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 49.009 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
