Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1997609241-0
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 | 47 USD | 90 | 8 working days | Get Quote |
| 5 mg | 70 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 98 | 24 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-1997609241-0.sdf |
| SMILES | MCULE-1997609241-0.smiles |
| Standard InChI | MCULE-1997609241-0.inchi |
| InChIKey | MCULE-1997609241-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-612904209 | 98 | As is | by synthesis |
| P-889923248 | 98 | As is | by synthesis |
| P-874606802 | 97 | As is | by resynthesis (? - ? days) |
| P-903137446 | 98 | As is | 500 mg |
| P-851610388 | N/A | As is | by synthesis |
| P-489198579 | 97 | As is | in stock |
| P-865918316 | 98 | As is | 500 mg |
| P-1274815148 | 95 | As is | by resynthesis (? - ? days) |
| P-889849186 | 95 | As is | by synthesis |
| P-590935798 | 98 | As is | by synthesis |
| P-517094019 | 90 | As is | in stock |
| P-870662494 | 98 | As is | in stock |
| P-492236011 | 95 | As is | in stock |
| P-596598749 | 90 | As is | 1000 mg |
| P-596564335 | 97 | As is | 25 g |
| P-579617082 | 99 | As is | in stock |
| P-31164813 | 90 | As is | 500 mg |
| P-854705747 | 95 | As is | by synthesis |
| P-491190677 | 95 | As is | by synthesis |
| P-34192844 | 90 | As is | in stock |
| P-869116711 | 95 | As is | unavailable |
| P-888632187 | 95 | As is | unavailable |
| P-33163029 | 90 | As is | 1000 mg |
| P-906776526 | 98 | As is | by synthesis |
| P-906838909 | 98 | As is | by synthesis |
| P-594188231 | 90 | As is | 1.1 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 179.197 |
| logP | -0.0836 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 125.92 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 39.991 |
| Atoms | 20 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 9 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
