Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-4066113752-0
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 | 11 USD | 95 | 20 working days | Get Quote |
| 5 mg | 11 USD | 95 | 20 working days | Get Quote |
| 10 mg | 11 USD | 95 | 20 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-4649420265-0
- Component type: Main
-
1
MCULE-6872461833-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4066113752-0.sdf |
| SMILES | MCULE-4066113752-0.smiles |
| Standard InChI | MCULE-4066113752-0.inchi |
| InChIKey | MCULE-4066113752-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867641492 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-894620235 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851398797 | AmBeed | On request | N/A | As is | by synthesis |
| P-873295894 | Angene | Building Blocks in stock | 97 | As is | 100 mg |
| P-864263943 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-893253186 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-869118693 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892288890 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888633724 | TargetMol | Screening Compounds - stock amount | 95 | As is | 100 mg |
| P-865907493 | Angene | Building Blocks in stock | 95 | Main component as a main component | 175 g |
| P-881654059 | Apexbio Technology | Bioactive Compound Library | 98 | Main component as a main component | in stock |
| P-864193868 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-893235983 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| P-893235427 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| P-893235642 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| P-893260494 | Biosynth | Synthesis | 95 | Main component as a main component | by synthesis |
| P-892263542 | TargetMol | Screening Compounds - synthesis | 95 | Main component as a main component | by synthesis |
| P-892344854 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | unavailable |
| P-854985152 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 205.120 |
| logP | -2.4924 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 89.9 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 44.9553 |
| Atoms | 23 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 8 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
