Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9702021249
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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.
| Name | File |
|---|---|
| SDF | MCULE-9702021249.sdf |
| SMILES | MCULE-9702021249.smiles |
| Standard InChI | MCULE-9702021249.inchi |
| InChIKey | MCULE-9702021249.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852142029 | 97 | As is | by synthesis |
| P-901218684 | N/A | As is | by synthesis |
| P-894650830 | 95 | As is | in stock |
| P-903223275 | 97 | As is | 250 mg |
| P-881624344 | N/A | As is | by synthesis |
| P-889474676 | 95 | As is | by synthesis |
| P-901899952 | 95 | As is | by synthesis |
| P-4349136 | 90 | As is | 5 mg |
| P-577173290 | 90 | As is | by synthesis |
| P-861369584 | 95 | As is | by synthesis |
| P-488545969 | 90 | As is | in stock |
| P-13199202 | 95 | As is | 250 mg |
| P-596586404 | 90 | As is | 1000 mg |
| P-854800094 | 95 | As is | by synthesis |
| P-454370691 | 92 | As is | in stock |
| P-13586656 | 92 | As is | 250 mg |
| P-856063162 | 95 | As is | in stock |
| P-18970094 | 90 | As is | in stock |
| P-606532 | 90 | As is | 941 mg |
| P-3218511 | 90 | As is | 941 mg |
| P-3241433 | 90 | As is | 941 mg |
| P-868512063 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 240.257 |
| logP | 3.6722 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 72.28 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 70.8384 |
| Atoms | 30 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
