Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2868353084-0
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 | 98 | 22 working days | Get Quote |
| 5 mg | 40 USD | 98 | 16 working days | Get Quote |
| 10 mg | 63 USD | 98 | 16 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.
-
1
MCULE-6046829567-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2868353084-0.sdf |
| SMILES | MCULE-2868353084-0.smiles |
| Standard InChI | MCULE-2868353084-0.inchi |
| InChIKey | MCULE-2868353084-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892890745 | 98 | As is | in stock |
| P-901315945 | 98 | As is | in stock |
| P-893618443 | 90 | As is | 2.805 g |
| P-891652217 | N/A | As is | by synthesis |
| P-895113871 | N/A | As is | 100 mg |
| P-889497822 | 95 | As is | by synthesis |
| P-901874357 | 98 | As is | by synthesis |
| P-1274914254 | 95 | As is | by synthesis |
| P-873248763 | 97 | As is | 5 mg |
| P-868743947 | 95 | As is | in stock |
| P-888171625 | 98 | As is | by synthesis |
| P-904252512 | 95 | As is | unavailable |
| P-892295027 | 95 | As is | unavailable |
| P-892271293 | 95 | As is | 8 mg |
| P-869161025 | 95 | As is | 101 mg |
| P-892348998 | 95 | As is | 8 mg |
| P-888656253 | 95 | As is | 101 mg |
| P-1271620750 | 98 | As is | in stock |
| P-867678000 | 98 | Main component | in stock |
| P-875855425 | 98 | Main component | in stock |
| P-869212303 | 95 | Main component | by resynthesis (? - ? days) |
| P-903298665 | 98 | Main component | 200 mg |
| P-610984646 | 90 | Main component | 5.336 g |
| P-606902641 | N/A | Main component | in stock |
| P-865931907 | N/A | Main component | 200 mg |
| P-889559963 | 98 | Main component | in stock |
| P-893282027 | 98 | Main component | by synthesis |
| P-901438330 | 95 | Main component | by synthesis |
| P-851314825 | 95 | Main component | by synthesis |
| P-860800149 | 98 | Main component | in stock |
| P-861367012 | 95 | Main component | by synthesis |
| P-579481540 | 95 | Main component | in stock |
| P-868078577 | 95 | Main component | in stock |
| P-855924496 | 97 | Main component | 100 mg |
| P-854721174 | 95 | Main component | in stock |
| P-871070838 | 95 | Main component | in stock |
| P-608278484 | 98 | Main component | in stock |
| P-579712832 | 98 | Main component | in stock |
| P-904249900 | 95 | Main component | unavailable |
| P-869160492 | 95 | Main component | 4 mg |
| P-888655766 | 95 | Main component | 3 mg |
| P-906798234 | 98 | Main component | by synthesis |
| P-868496678 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 468.981 |
| logP | 4.3801 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 94.19 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 133.5644 |
| Atoms | 62 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 29 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
