Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9663714901-0
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 | 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-6750067389-0
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9663714901-0.sdf |
| SMILES | MCULE-9663714901-0.smiles |
| Standard InChI | MCULE-9663714901-0.inchi |
| InChIKey | MCULE-9663714901-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886482268 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-619311821 | ChemDiv | Discovery Chemistry Library | 90 | As is | 9 mg |
| P-34572325 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-34525927 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-861299032 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580769577 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
| P-580780500 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
| P-860788878 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-19492410 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-888666353 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-502345847 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22505946 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 23 mg |
| P-1235636 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 58 mg |
| P-852026872 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 5 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 304.199 |
| logP | 2.9317 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 57.95 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 62.719 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 8 |
| Heteroatoms | 8 |
| N/O atoms | 4 |
| Inorganic atoms | 1 |
| Halogen atoms | 3 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
