Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3570913242
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 | 25 USD | 95 | 20 working days | Get Quote |
| 5 mg | 25 USD | 95 | 20 working days | Get Quote |
| 10 mg | 25 USD | 95 | 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-3570913242.sdf |
| SMILES | MCULE-3570913242.smiles |
| Standard InChI | MCULE-3570913242.inchi |
| InChIKey | MCULE-3570913242.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867631598 | 95 | As is | in stock |
| P-875795748 | 95 | As is | in stock |
| P-869208457 | 95 | As is | by resynthesis (? - ? days) |
| P-903148961 | 97 | As is | 15 g |
| P-1270310308 | 95 | As is | in stock |
| P-851857749 | N/A | As is | by synthesis |
| P-900247173 | 95 | As is | 150 g |
| P-1273461481 | 95 | As is | by resynthesis (? - ? days) |
| P-869482848 | 90 | As is | 100 mg |
| P-889789732 | 95 | As is | in stock |
| P-901435898 | 95 | As is | by synthesis |
| P-584500834 | 90 | As is | 9 mg |
| P-577167421 | 90 | As is | by synthesis |
| P-584576222 | 90 | As is | 51 mg |
| P-870585662 | 95 | As is | in stock |
| P-889165518 | 97 | As is | 254.61 g |
| P-492225293 | 95 | As is | in stock |
| P-502620240 | 90 | As is | in stock |
| P-13383444 | 92 | As is | 255 mg |
| P-1275085893 | 95 | As is | 1000 mg |
| P-31173468 | 90 | As is | 2 g |
| P-35205813 | 90 | As is | in stock |
| P-1272508082 | 95 | As is | in stock |
| P-492277013 | 90 | As is | 2.2 g |
| P-26397664 | 90 | As is | 2.2 g |
| P-19011763 | 90 | As is | in stock |
| P-502357933 | 90 | As is | in stock |
| P-23297549 | 94 | As is | by resynthesis (? - ? days) |
| P-24817861 | 90 | As is | 304 mg |
| P-1271718989 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 200.262 |
| logP | 3.2914 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 56.92 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 59.4067 |
| Atoms | 22 |
| Rings | 3 |
| Heavy atoms | 14 |
| Hydrogen atoms | 8 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
