MCULE-6697091827-0
- 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 | 97 | 14 working days | Get Quote |
| 5 mg | 7 USD | 97 | 14 working days | Get Quote |
| 10 mg | 7 USD | 97 | 14 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-6697091827-0.sdf |
| SMILES | MCULE-6697091827-0.smiles |
| Standard InChI | MCULE-6697091827-0.inchi |
| InChIKey | MCULE-6697091827-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867552048 | 98 | As is | in stock |
| P-875709989 | N/A | As is | in stock |
| P-597017254 | 97 | As is | in stock |
| P-590381080 | 98 | As is | in stock |
| P-903036632 | 97 | As is | 25 g |
| P-606898225 | N/A | As is | in stock |
| P-489131232 | 97 | As is | in stock |
| P-596941920 | 97 | As is | 50 g |
| P-494348899 | 95 | As is | 1.7 g |
| P-596499365 | 90 | As is | 1000 mg |
| P-596474364 | 90 | As is | 1000 mg |
| P-864091893 | 97 | As is | in stock |
| P-492250866 | 95 | As is | in stock |
| P-427940200 | 90 | As is | 25 mg |
| P-577173389 | 90 | As is | by synthesis |
| P-454759208 | 90 | As is | in stock |
| P-15151380 | 90 | As is | 17 mg |
| P-436442655 | 90 | As is | 4.49 g |
| P-329850 | 90 | As is | 447 mg |
| P-19858992 | 90 | As is | in stock |
| P-868648584 | 98 | As is | in stock |
| P-34586151 | 90 | As is | by synthesis |
| P-580778838 | 90 | As is | by resynthesis (? - ? days) |
| P-580768048 | 90 | As is | in stock |
| P-580418149 | 95 | As is | by resynthesis (? - ? days) |
| P-861950218 | 95 | As is | 107.925 g |
| P-905331363 | 95 | As is | 5 g |
| P-890217342 | 90 | As is | 15 g |
| P-590339771 | 90 | As is | 15 g |
| P-505519168 | 95 | As is | in stock |
| P-488547001 | 90 | As is | in stock |
| P-13579181 | 95 | As is | 300 mg |
| P-454312915 | 95 | As is | 167 mg |
| P-454399276 | 95 | As is | 5 g |
| P-613275957 | 95 | As is | by synthesis |
| P-580464883 | 95 | As is | by synthesis |
| P-852384092 | N/A | As is | in stock |
| P-428012830 | 95 | As is | 2.029 kg |
| P-895220334 | 95 | As is | in stock |
| P-454366743 | 92 | As is | in stock |
| P-500405428 | 97 | As is | by synthesis |
| P-596795071 | 95 | As is | by synthesis |
| P-519804331 | 90 | As is | in stock |
| P-596782598 | 98 | As is | 77 g |
| P-22622994 | 90 | As is | in stock |
| P-502331407 | 90 | As is | in stock |
| P-888436552 | 94 | As is | by resynthesis (? - ? days) |
| P-611474782 | 90 | As is | in stock |
| P-3238759 | 90 | As is | 507 mg |
| P-886922225 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 191.273 |
| logP | 1.6047 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 32.5 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 67.1064 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 17 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

