Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8649192489
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 | 6 USD | 97 | 22 working days | Get Quote |
| 5 mg | 6 USD | 97 | 22 working days | Get Quote |
| 10 mg | 6 USD | 97 | 22 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-8649192489.sdf |
| SMILES | MCULE-8649192489.smiles |
| Standard InChI | MCULE-8649192489.inchi |
| InChIKey | MCULE-8649192489.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867588881 | 97 | As is | in stock |
| P-875748347 | N/A | As is | in stock |
| P-869190125 | 95 | As is | in stock |
| P-505348214 | 98 | As is | in stock |
| P-903079017 | 98 | As is | 4.5 kg |
| P-580247704 | 95 | As is | by synthesis |
| P-606908037 | N/A | As is | in stock |
| P-489161397 | 97 | As is | in stock |
| P-596955503 | 97 | As is | 2 kg |
| P-895930358 | 95 | As is | by resynthesis (? - ? days) |
| P-864154407 | 95 | As is | in stock |
| P-860055355 | 98 | As is | by synthesis |
| P-584628213 | 97 | As is | 235 g |
| P-893235230 | 95 | As is | in stock |
| P-881630503 | 98 | As is | in stock |
| P-868592997 | 97 | As is | in stock |
| P-579477669 | 95 | As is | in stock |
| P-896536068 | 97 | As is | 5 g |
| P-862031667 | 97 | As is | 3.14251 kg |
| P-675212249 | 95 | As is | in stock |
| P-856009065 | 98 | As is | 100 mg |
| P-31251573 | 90 | As is | 10 g |
| P-852467290 | N/A | As is | in stock |
| P-901840515 | 95 | As is | in stock |
| P-854690771 | 95 | As is | in stock |
| P-608278913 | 98 | As is | in stock |
| P-500404527 | 98 | As is | by synthesis |
| P-889868172 | 95 | As is | by synthesis |
| P-617404857 | N/A | As is | in stock |
| P-580050280 | 95 | As is | by synthesis |
| P-869176475 | 95 | As is | in stock |
| P-892292993 | 95 | As is | 1.001 g |
| P-892328488 | 95 | As is | 1.001 g |
| P-873222557 | 90 | As is | in stock |
| P-906753515 | 97 | As is | by synthesis |
| P-611449498 | 90 | As is | in stock |
| P-893964880 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 282.331 |
| logP | 3.3207 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 86.99 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 77.4395 |
| Atoms | 42 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 22 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
