Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3969480285
Compound
Show structures
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 | 91 USD | 90 | 17 working days | Get Quote |
| 5 mg | 91 USD | 90 | 17 working days | Get Quote |
| 10 mg | 120 USD | 90 | 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-9613235404
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3969480285.sdf |
| SMILES | MCULE-3969480285.smiles |
| Standard InChI | MCULE-3969480285.inchi |
| InChIKey | MCULE-3969480285.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-31163507 | LaboTest | Screening Collection | 90 | As is | 1000 mg |
| P-674748251 | Maybridge | Screening Collection | 90 | As is | 4.391 kg |
| P-617599992 | Specs | Screening Compounds | 90 | As is | 162 mg |
| P-852066472 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-851685592 | AmBeed | On request | N/A | Main component | by synthesis |
| P-489221758 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-591016711 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-504645015 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 90 | Main component | 5 mg |
| P-852380426 | Matrix Scientific | All | N/A | Main component | in stock |
| P-35242456 | Maybridge | Screening Collection | 90 | Main component | 2.063 kg |
| P-864060581 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-855300986 | Toronto Research | In stock | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 303.267 |
| logP | 3.1313 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 21.05 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 91.3991 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 24 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
