Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2373229439-0
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 | 22 working days | Get Quote |
| 5 mg | 77 USD | 90 | 21 working days | Get Quote |
| 10 mg | 92 USD | 90 | 21 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-2373229439-0.sdf |
| SMILES | MCULE-2373229439-0.smiles |
| Standard InChI | MCULE-2373229439-0.inchi |
| InChIKey | MCULE-2373229439-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270448898 | 90 | As is | by synthesis |
| P-1264975803 | 90 | As is | by synthesis |
| P-596394177 | 90 | As is | unavailable |
| P-5669730 | 90 | As is | 9 mg |
| P-607712610 | 90 | As is | 12 mg |
| P-19886268 | 90 | As is | in stock |
| P-12968984 | 90 | As is | 113 mg |
| P-19006840 | 90 | As is | in stock |
| P-22824725 | 90 | As is | in stock |
| P-888452603 | 94 | As is | by resynthesis (? - ? days) |
| P-696615 | 90 | As is | 2 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 310.396 |
| logP | 3.4264 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 125.88 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 77.3821 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 14 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| 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 |
