Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1187979534-0
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 | 34 USD | 90 | 17 working days | Get Quote |
| 5 mg | 50 USD | 90 | 17 working days | Get Quote |
| 10 mg | 64 USD | 90 | 17 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-9557845333-0
- Component type: Main
-
1
MCULE-3867000095-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1187979534-0.sdf |
| SMILES | MCULE-1187979534-0.smiles |
| Standard InChI | MCULE-1187979534-0.inchi |
| InChIKey | MCULE-1187979534-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886728353 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-890026946 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-889837440 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-856024482 | LaboTest | Screening Collection | 90 | As is | 5 g |
| P-502365350 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-851501083 | AmBeed | On request | N/A | Main component | by synthesis |
| P-611040521 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-869030682 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-675127802 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-889853020 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-852061313 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 63 mg |
| P-852046878 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 63 mg |
| P-854061937 | InterBioScreen | Building Blocks | 90 | Main component as a main component | in stock |
| P-854550682 | InterBioScreen | Natural Compounds | 92 | Main component as a main component | 300 mg |
| P-854862732 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
| P-454364351 | Pharmeks LLC | Building Blocks | 92 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 422.857 |
| logP | 1.896 |
| H-bond acceptors | 8 |
| H-bond donors | 6 |
| Rotatable bonds | 5 |
| PSA | 139.12 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 111.7956 |
| Atoms | 52 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 23 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 3 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 3 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
