Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3385567100-0
Structure
Show compound
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-3385567100-0.sdf |
| SMILES | MCULE-3385567100-0.smiles |
| Standard InChI | MCULE-3385567100-0.inchi |
| InChIKey | MCULE-3385567100-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867636027 | 98 | As is | in stock |
| P-875800897 | N/A | As is | in stock |
| P-535627094 | 95 | As is | in stock |
| P-505353349 | 98 | As is | in stock |
| P-535624904 | 98 | As is | in stock |
| P-580242727 | 95 | As is | by synthesis |
| P-489153433 | 97 | As is | in stock |
| P-864219080 | 97 | As is | by synthesis |
| P-893234916 | 95 | As is | in stock |
| P-868583938 | 98 | As is | in stock |
| P-34654810 | 90 | As is | by synthesis |
| P-580420361 | 95 | As is | by resynthesis (? - ? days) |
| P-889111851 | 99 | As is | 88.4 g |
| P-870655374 | 98 | As is | in stock |
| P-505517404 | 95 | As is | in stock |
| P-492234173 | 95 | As is | in stock |
| P-454352239 | 95 | As is | 100 mg |
| P-454417205 | 95 | As is | 50 g |
| P-31276335 | 90 | As is | 10 g |
| P-856042070 | 90 | As is | 10 g |
| P-613284851 | 95 | As is | by synthesis |
| P-852444197 | N/A | As is | in stock |
| P-578151866 | 90 | As is | 1.2 g |
| P-578160626 | 95 | As is | 1.2 g |
| P-500373926 | 98 | As is | by synthesis |
| P-885547969 | 95 | As is | by synthesis |
| P-19442190 | 90 | As is | in stock |
| P-896079924 | N/A | As is | 9.894 g |
| P-22938945 | 90 | As is | in stock |
| P-502368945 | 90 | As is | in stock |
| P-25062018 | 90 | As is | 154 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 139.109 |
| logP | 1.8236 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 66.05 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 37.287 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 5 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
