Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9020643693-0
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.
-
1
MCULE-8112970481-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9020643693-0.sdf |
| SMILES | MCULE-9020643693-0.smiles |
| Standard InChI | MCULE-9020643693-0.inchi |
| InChIKey | MCULE-9020643693-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1263718010 | 90 | As is | 90 mg |
| P-867534308 | N/A | Main component | in stock |
| P-875689213 | N/A | Main component | in stock |
| P-881672007 | 95 | Main component | in stock |
| P-590401220 | 98 | Main component | in stock |
| P-864235782 | 98 | Main component | by synthesis |
| P-481175756 | 95 | Main component | 23 g |
| P-901422683 | 95 | Main component | by synthesis |
| P-868579163 | 98 | Main component | in stock |
| P-580287839 | N/A | Main component | by resynthesis (? - ? days) |
| P-488553895 | 90 | Main component | in stock |
| P-852454342 | N/A | Main component | in stock |
| P-454374437 | 92 | Main component | in stock |
| P-500394732 | 98 | Main component | by synthesis |
| P-859989440 | 95 | Main component | by synthesis |
| P-502329066 | 90 | Main component | in stock |
| P-907286718 | 94 | Main component | by resynthesis (? - ? days) |
| P-893648583 | 95 | Main component | by synthesis |
| P-867611493 | 98 | Main component as a main component | in stock |
| P-875771323 | N/A | Main component as a main component | in stock |
| P-535627205 | 95 | Main component as a main component | in stock |
| P-505347706 | 98 | Main component as a main component | in stock |
| P-903111274 | 98 | Main component as a main component | 100 g |
| P-597006095 | 98 | Main component as a main component | 100 g |
| P-864144743 | 95 | Main component as a main component | in stock |
| P-893254546 | 95 | Main component as a main component | by synthesis |
| P-619285443 | 90 | Main component as a main component | 2 mg |
| P-868576738 | 98 | Main component as a main component | in stock |
| P-505498815 | 95 | Main component as a main component | in stock |
| P-675383967 | 90 | Main component as a main component | in stock |
| P-488550354 | 90 | Main component as a main component | in stock |
| P-856043095 | 90 | Main component as a main component | 10 g |
| P-31156645 | 90 | Main component as a main component | 10 g |
| P-613281295 | 95 | Main component as a main component | by synthesis |
| P-871238977 | N/A | Main component as a main component | by synthesis |
| P-852511001 | N/A | Main component as a main component | in stock |
| P-895271599 | 95 | Main component as a main component | by synthesis |
| P-26441456 | 90 | Main component as a main component | 509 mg |
| P-454372037 | 92 | Main component as a main component | in stock |
| P-500373643 | 98 | Main component as a main component | by synthesis |
| P-33510124 | 90 | Main component as a main component | in stock |
| P-502326916 | 90 | Main component as a main component | in stock |
| P-907246798 | 94 | Main component as a main component | by resynthesis (? - ? days) |
| P-906779332 | 98 | Main component as a main component | by synthesis |
| P-611426048 | 90 | Main component as a main component | in stock |
| P-855249236 | 90 | Main component as a main component | in stock |
| P-575297474 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 263.203 |
| logP | 3.7108 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 15.27 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 81.6627 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 20 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
