Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4434498846-0
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 | 130 USD | 90 | 12 working days | Get Quote |
| 5 mg | 130 USD | 90 | 12 working days | Get Quote |
| 10 mg | 130 USD | 90 | 12 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.
-
MCULE-8379182275-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4434498846-0.sdf |
| SMILES | MCULE-4434498846-0.smiles |
| Standard InChI | MCULE-4434498846-0.inchi |
| InChIKey | MCULE-4434498846-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-584620609 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-888643043 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869132283 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-886901483 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| P-886651977 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-890166840 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-584603652 | Alinda | Building Blocks | 95 | As a main component | in stock |
| P-851910785 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-873297856 | Angene | Building Blocks in stock | 95 | As a main component | 40 g |
| P-591051639 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
| P-617651587 | ChemDiv | Building Blocks in stock | 90 | As a main component | in stock |
| P-861529210 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-870656969 | Glentham Life Sciences | Compounds typically in stock | 95 | As a main component | in stock |
| P-579454991 | Key Organics | Building Blocks | 95 | As a main component | 250 mg |
| P-579455327 | Key Organics | Building Blocks | 95 | As a main component | 195 mg |
| P-31248580 | LaboTest | Screening Collection | 90 | As a main component | unavailable |
| P-852532297 | Matrix Scientific | All | N/A | As a main component | in stock |
| P-615390091 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 176.174 |
| logP | 0.0943 |
| H-bond acceptors | 7 |
| H-bond donors | 5 |
| Rotatable bonds | 6 |
| PSA | 134.45 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 40.813 |
| Atoms | 24 |
| Rings | 0 |
| Heavy atoms | 12 |
| Hydrogen atoms | 12 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
