Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4421420390
Compound
Show structure
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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 USD | 98 | 20 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.
-
MCULE-5201992778
- Component type: Main
-
MCULE-7678369575
- Component type: Main
-
MCULE-2378452194
- Component type: Main
-
MCULE-8091283108
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4421420390.sdf |
| SMILES | MCULE-4421420390.smiles |
| Standard InChI | MCULE-4421420390.inchi |
| InChIKey | MCULE-4421420390.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901183793 | N/A | As a main component | by synthesis |
| P-875739027 | N/A | As a main component | in stock |
| P-904573615 | 95 | As a main component | in stock |
| P-590413093 | 95 | As a main component | in stock |
| P-903068749 | 98 | As a main component | 450 g |
| P-903029492 | 95 | As a main component | 2.5 g |
| P-893579577 | 90 | As a main component | 1.16029 kg |
| P-904318929 | 90 | As a main component | 35 g |
| P-1263079609 | N/A | As a main component | in stock |
| P-606854210 | N/A | As a main component | in stock |
| P-489240791 | 97 | As a main component | in stock |
| P-596988328 | 98 | As a main component | 400 g |
| P-895924757 | 95 | As a main component | by resynthesis (? - ? days) |
| P-889825170 | 95 | As a main component | by synthesis |
| P-907569745 | 95 | As a main component | 8.2 g |
| P-666963090 | 98 | As a main component | 136 g |
| P-901514991 | 95 | As a main component | by synthesis |
| P-619300358 | 90 | As a main component | 7 mg |
| P-617323692 | 90 | As a main component | in stock |
| P-868608395 | 97 | As a main component | in stock |
| P-580275717 | 95 | As a main component | by resynthesis (? - ? days) |
| P-889300524 | 98 | As a main component | 634.29 g |
| P-905356518 | 98 | As a main component | 5 g |
| P-870653507 | N/A | As a main component | in stock |
| P-675516702 | 90 | As a main component | by synthesis |
| P-24174961 | 95 | As a main component | 300 mg |
| P-454294199 | 90 | As a main component | 100 mg |
| P-31267490 | 90 | As a main component | unavailable |
| P-856045022 | 90 | As a main component | unavailable |
| P-856017983 | 90 | As a main component | 2 g |
| P-467941932 | 95 | As a main component | by synthesis |
| P-852509514 | N/A | As a main component | in stock |
| P-35286641 | 90 | As a main component | 1.568 kg |
| P-895261107 | 95 | As a main component | by synthesis |
| P-865620202 | 95 | As a main component | in stock |
| P-13374942 | 92 | As a main component | 300 mg |
| P-889884615 | 95 | As a main component | by synthesis |
| P-675096702 | 90 | As a main component | in stock |
| P-424928925 | 90 | As a main component | in stock |
| P-502367499 | 90 | As a main component | in stock |
| P-502366354 | 90 | As a main component | in stock |
| P-888497164 | 94 | As a main component | by resynthesis (? - ? days) |
| P-906770437 | 98 | As a main component | by synthesis |
| P-611422736 | 90 | As a main component | in stock |
| P-855247822 | 90 | As a main component | in stock |
| P-2981385 | 90 | As a main component | 161 mg |
| P-615412669 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.276 |
| logP | 2.5171 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 32.12 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 55.189 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |
