Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3503536759
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 | 24 USD | 98 | 20 working days | Get Quote |
| 5 mg | 52 USD | 98 | 16 working days | Get Quote |
| 10 mg | 85 USD | 98 | 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.
| Name | File |
|---|---|
| SDF | MCULE-3503536759.sdf |
| SMILES | MCULE-3503536759.smiles |
| Standard InChI | MCULE-3503536759.inchi |
| InChIKey | MCULE-3503536759.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867541287 | 98 | As is | in stock |
| P-875697761 | N/A | As is | in stock |
| P-869344517 | 95 | As is | in stock |
| P-903020219 | 98 | As is | 75 mg |
| P-1264050592 | 95 | As is | in stock |
| P-893515746 | 90 | As is | 14.732 g |
| P-606908995 | N/A | As is | in stock |
| P-489225310 | 97 | As is | in stock |
| P-596938221 | 98 | As is | 75 mg |
| P-580194045 | 98 | As is | in stock |
| P-889559955 | 98 | As is | in stock |
| P-580719153 | 98 | As is | 129 mg |
| P-851268649 | 95 | As is | by synthesis |
| P-860799380 | 98 | As is | in stock |
| P-861515406 | 95 | As is | by synthesis |
| P-579480044 | 95 | As is | in stock |
| P-505549964 | 95 | As is | in stock |
| P-596584033 | 97 | As is | 10 mg |
| P-854717467 | 95 | As is | in stock |
| P-474023538 | 95 | As is | in stock |
| P-878640665 | 98 | As is | in stock |
| P-579712310 | N/A | As is | in stock |
| P-851361521 | 98 | As is | 530 mg |
| P-869161790 | 95 | As is | by synthesis |
| P-892296546 | 95 | As is | unavailable |
| P-888657182 | 95 | As is | 196 mg |
| P-611453145 | 90 | As is | in stock |
| P-611453147 | 90 | As is | in stock |
| P-480967614 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 558.097 |
| logP | 5.8266 |
| H-bond acceptors | 8 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 107.42 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 167.2247 |
| Atoms | 67 |
| Rings | 6 |
| Heavy atoms | 39 |
| Hydrogen atoms | 28 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
