Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9904366802-0
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 | 7 USD | 99 | 14 working days | Get Quote |
| 5 mg | 7 USD | 99 | 14 working days | Get Quote |
| 10 mg | 7 USD | 99 | 14 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-3535374816-1
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9904366802-0.sdf |
| SMILES | MCULE-9904366802-0.smiles |
| Standard InChI | MCULE-9904366802-0.inchi |
| InChIKey | MCULE-9904366802-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875740366 | N/A | As is | in stock |
| P-869194553 | 95 | As is | in stock |
| P-590404622 | 98 | As is | in stock |
| P-903070597 | 99 | As is | 1.5 kg |
| P-606833884 | N/A | As is | in stock |
| P-489135358 | 97 | As is | in stock |
| P-596952690 | 95 | As is | 4.5 kg |
| P-864141760 | 95 | As is | in stock |
| P-580734460 | 95 | As is | 35 g |
| P-893222042 | 95 | As is | in stock |
| P-868605272 | 98 | As is | in stock |
| P-862032784 | 95 | As is | 5.02405 kg |
| P-870646893 | 98 | As is | in stock |
| P-596564032 | 95 | As is | 500 g |
| P-852467964 | N/A | As is | in stock |
| P-885547882 | 95 | As is | by synthesis |
| P-675096291 | 90 | As is | in stock |
| P-906774698 | 99 | As is | by synthesis |
| P-611497016 | 90 | As is | in stock |
| P-615413149 | 95 | As is | in stock |
| P-875700917 | N/A | Main component as a main component | in stock |
| P-869182300 | 97 | Main component as a main component | in stock |
| P-505393151 | 99 | Main component as a main component | in stock |
| P-903024568 | 99 | Main component as a main component | 24 kg |
| P-606878256 | N/A | Main component as a main component | in stock |
| P-596939068 | 99 | Main component as a main component | 27 kg |
| P-895928086 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-864208327 | 95 | Main component as a main component | in stock |
| P-584628221 | 99 | Main component as a main component | 100 g |
| P-868626080 | 98 | Main component as a main component | in stock |
| P-862145475 | 99 | Main component as a main component | 29.3016 kg |
| P-889117669 | 99 | Main component as a main component | 25 g |
| P-870646891 | N/A | Main component as a main component | in stock |
| P-855992974 | 99 | Main component as a main component | 100 mg |
| P-524165937 | 99 | Main component as a main component | 1000 g |
| P-852510060 | N/A | Main component as a main component | in stock |
| P-1263696225 | 95 | Main component as a main component | by synthesis |
| P-1263697843 | 95 | Main component as a main component | in stock |
| P-885547883 | 95 | Main component as a main component | by synthesis |
| P-906900747 | 99 | Main component as a main component | in stock |
| P-611497015 | 90 | Main component as a main component | in stock |
| P-615448736 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 159.117 |
| logP | 0.2135 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 66.15 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 35.8634 |
| Atoms | 17 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 1 |
| 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 |
