Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3147280858
Compound
Show structure
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 | 95 | 14 working days | Get Quote |
| 5 mg | 35 USD | 95 | 14 working days | Get Quote |
| 10 mg | 41 USD | 95 | 14 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-3147280858.sdf |
| SMILES | MCULE-3147280858.smiles |
| Standard InChI | MCULE-3147280858.inchi |
| InChIKey | MCULE-3147280858.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-620803910 | Alinda | Building Blocks | 95 | As is | 1000 mg |
| P-3938412 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-454713770 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-449242985 | ChemDiv | Discovery Chemistry Library | 90 | As is | 15 mg |
| P-862066876 | FluoroChem | General BB | N/A | As is | in stock |
| P-855974371 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-596595951 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-563703536 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-852433282 | Matrix Scientific | All | N/A | As is | in stock |
| P-13799476 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-856067485 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 2.88 g |
| P-675094921 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-855310645 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 293.264 |
| logP | 2.7022 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 83.86 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 66.4775 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 10 |
| Heteroatoms | 8 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
