Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6736961604-0
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 | 27 USD | 98 | 20 working days | Get Quote |
| 5 mg | 27 USD | 98 | 20 working days | Get Quote |
| 10 mg | 27 USD | 98 | 20 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.
| Name | File |
|---|---|
| SDF | MCULE-6736961604-0.sdf |
| SMILES | MCULE-6736961604-0.smiles |
| Standard InChI | MCULE-6736961604-0.inchi |
| InChIKey | MCULE-6736961604-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872827150 | 95 | As is | in stock |
| P-875740719 | 95 | As is | in stock |
| P-892789756 | 95 | As is | by resynthesis (? - ? days) |
| P-903070930 | 98 | As is | 1000 mg |
| P-893583981 | 90 | As is | 215.45 g |
| P-871256230 | N/A | As is | in stock |
| P-489151380 | 97 | As is | in stock |
| P-873290957 | 98 | As is | 50 g |
| P-552039240 | 95 | As is | by resynthesis (? - ? days) |
| P-889588857 | 95 | As is | in stock |
| P-591133766 | 95 | As is | by synthesis |
| P-887328596 | 95 | As is | by synthesis |
| P-580272489 | 95 | As is | by resynthesis (? - ? days) |
| P-1273122903 | 98 | As is | 2 g |
| P-901411315 | 98 | As is | 11.65 g |
| P-505513775 | 95 | As is | in stock |
| P-596572999 | 97 | As is | 1000 mg |
| P-588249420 | N/A | As is | by synthesis |
| P-901011883 | 95 | As is | in stock |
| P-888895775 | N/A | As is | in stock |
| P-500402591 | 98 | As is | by synthesis |
| P-889869201 | 95 | As is | by synthesis |
| P-19476302 | 90 | As is | in stock |
| P-502406707 | 90 | As is | in stock |
| P-906821096 | 95 | As is | by synthesis |
| P-1197629 | 90 | As is | 120 mg |
| P-1271671722 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 244.670 |
| logP | 3.4056 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 34.14 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 66.555 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
