Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5281919419
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 | 7 USD | 95 | 22 working days | Get Quote |
| 5 mg | 7 USD | 95 | 22 working days | Get Quote |
| 10 mg | 7 USD | 95 | 22 working days | Get Quote |
- 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-5281919419.sdf |
| SMILES | MCULE-5281919419.smiles |
| Standard InChI | MCULE-5281919419.inchi |
| InChIKey | MCULE-5281919419.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867563565 | 95 | As is | in stock |
| P-875722745 | 95 | As is | in stock |
| P-1275153180 | 95 | As is | in stock |
| P-1275175203 | 98 | As is | in stock |
| P-903052026 | 95 | As is | 500 g |
| P-617068447 | 98 | As is | in stock |
| P-606862679 | N/A | As is | in stock |
| P-489145567 | 97 | As is | in stock |
| P-489143285 | 97 | As is | in stock |
| P-596945938 | 98 | As is | 500 g |
| P-494332602 | 95 | As is | by resynthesis (? - ? days) |
| P-864109227 | 95 | As is | in stock |
| P-580401221 | 95 | As is | by resynthesis (? - ? days) |
| P-905333568 | 98 | As is | 835 g |
| P-1275226807 | 98 | As is | 388.5 g |
| P-870655816 | 98 | As is | in stock |
| P-502510942 | 95 | As is | by synthesis |
| P-492231871 | 95 | As is | in stock |
| P-454417521 | 95 | As is | 9.1 g |
| P-870641426 | 95 | As is | 100 mg |
| P-579613803 | 98 | As is | in stock |
| P-613276119 | 95 | As is | by synthesis |
| P-860788474 | 98 | As is | by synthesis |
| P-852496906 | 95 | As is | by synthesis |
| P-854736065 | 95 | As is | in stock |
| P-492285773 | 90 | As is | 2.3 g |
| P-12955454 | 90 | As is | 2.3 g |
| P-856064018 | 95 | As is | in stock |
| P-424805337 | 90 | As is | in stock |
| P-33802950 | 90 | As is | in stock |
| P-502372145 | 90 | As is | in stock |
| P-611433684 | 90 | As is | in stock |
| P-25557027 | 90 | As is | 273 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 218.701 |
| logP | 3.6201 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 42.52 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 54.423 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |
