Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2489431953
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 | 17 USD | N/A | 9 working days | Get Quote |
| 5 mg | 38 USD | N/A | 9 working days | Get Quote |
| 10 mg | 57 USD | N/A | 9 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-2489431953.sdf |
| SMILES | MCULE-2489431953.smiles |
| Standard InChI | MCULE-2489431953.inchi |
| InChIKey | MCULE-2489431953.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875782256 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-903128080 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 2 g |
| P-890228418 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-871222160 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-851260421 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861350071 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579480532 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-852531239 | Matrix Scientific | All | N/A | As is | in stock |
| P-854717056 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474025233 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-619673669 | Molnova | Stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 429.306 |
| logP | 3.3313 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 49.85 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 116.1835 |
| Atoms | 48 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 21 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
