Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5231658652-0
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 | 21 USD | 95 | 14 working days | Get Quote |
| 5 mg | 21 USD | 95 | 14 working days | Get Quote |
| 10 mg | 21 USD | 95 | 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-5988791252-0
- Component type: Main
-
1
MCULE-6647815245-2
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5231658652-0.sdf |
| SMILES | MCULE-5231658652-0.smiles |
| Standard InChI | MCULE-5231658652-0.inchi |
| InChIKey | MCULE-5231658652-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-26368064 | 90 | As is | 37 mg |
| P-867543751 | 98 | Main component | in stock |
| P-875701236 | N/A | Main component | in stock |
| P-590369391 | 95 | Main component | in stock |
| P-869354036 | 95 | Main component | in stock |
| P-903024830 | 98 | Main component | 20 g |
| P-610954399 | 90 | Main component | 65.819 g |
| P-580260024 | 95 | Main component | by synthesis |
| P-606951693 | N/A | Main component | in stock |
| P-489116921 | 97 | Main component | in stock |
| P-596978233 | 98 | Main component | 10 g |
| P-895933775 | 95 | Main component | by resynthesis (? - ? days) |
| P-864124182 | 97 | Main component | in stock |
| P-901510477 | 95 | Main component | by synthesis |
| P-878240336 | 98 | Main component | in stock |
| P-851275559 | 95 | Main component | by synthesis |
| P-861280382 | 97 | Main component | in stock |
| P-868623914 | 97 | Main component | in stock |
| P-580399874 | N/A | Main component | by resynthesis (? - ? days) |
| P-881675572 | N/A | Main component | by resynthesis (? - ? days) |
| P-905335300 | 95 | Main component | 1.25 g |
| P-861975294 | 95 | Main component | 6.064 g |
| P-890211874 | 90 | Main component | 1 mg |
| P-579523064 | 90 | Main component | 1 mg |
| P-454322760 | 90 | Main component | 97 mg |
| P-524189219 | 95 | Main component | 5 g |
| P-893293778 | 90 | Main component | 97 mg |
| P-524194812 | 98 | Main component | 5 g |
| P-613284584 | 95 | Main component | by synthesis |
| P-852492857 | N/A | Main component | in stock |
| P-854723520 | 95 | Main component | in stock |
| P-888859984 | N/A | Main component | in stock |
| P-1263958433 | 90 | Main component | in stock |
| P-859989099 | 95 | Main component | by synthesis |
| P-851379144 | 95 | Main component | 18.43 g |
| P-906752296 | 98 | Main component | by synthesis |
| P-611534620 | 90 | Main component | in stock |
| P-575320370 | 95 | Main component | in stock |
| P-867615665 | 95 | Main component as a main component | in stock |
| P-875776446 | N/A | Main component as a main component | in stock |
| P-892782476 | 95 | Main component as a main component | in stock |
| P-590365464 | 95 | Main component as a main component | in stock |
| P-903118712 | 97 | Main component as a main component | 5 g |
| P-610970338 | 90 | Main component as a main component | 15.4 g |
| P-851468623 | N/A | Main component as a main component | by synthesis |
| P-873293088 | 97 | Main component as a main component | 5 g |
| P-889771374 | 95 | Main component as a main component | in stock |
| P-590793970 | 95 | Main component as a main component | by synthesis |
| P-851287332 | 95 | Main component as a main component | by synthesis |
| P-861551876 | 95 | Main component as a main component | by synthesis |
| P-563539294 | 95 | Main component as a main component | 1000 mg |
| P-596585367 | 97 | Main component as a main component | 1000 mg |
| P-467926526 | 95 | Main component as a main component | by synthesis |
| P-601053743 | 90 | Main component as a main component | 58 mg |
| P-852509959 | N/A | Main component as a main component | in stock |
| P-854793366 | 95 | Main component as a main component | by synthesis |
| P-611399952 | 90 | Main component as a main component | in stock |
| P-868534056 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 253.251 |
| logP | 0.8319 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 95.86 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 66.7883 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 15 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
