Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1665001985-0
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 | 11 USD | 98 | 22 working days | Get Quote |
| 5 mg | 11 USD | 98 | 22 working days | Get Quote |
| 10 mg | 11 USD | 98 | 22 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-1665001985-0.sdf |
| SMILES | MCULE-1665001985-0.smiles |
| Standard InChI | MCULE-1665001985-0.inchi |
| InChIKey | MCULE-1665001985-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867636334 | 98 | As is | in stock |
| P-1266289256 | 98 | As is | in stock |
| P-1275179535 | 98 | As is | in stock |
| P-1275154122 | 95 | As is | in stock |
| P-1275181170 | 99 | As is | in stock |
| P-580193256 | 98 | As is | in stock |
| P-1264047960 | 99 | As is | in stock |
| P-1270287215 | 98 | As is | in stock |
| P-606853547 | N/A | As is | in stock |
| P-596967747 | 98 | As is | 10 g |
| P-1273269515 | 95 | As is | by resynthesis (? - ? days) |
| P-1273283015 | 95 | As is | by resynthesis (? - ? days) |
| P-864192198 | 95 | As is | in stock |
| P-907572433 | 95 | As is | by synthesis |
| P-901548640 | 95 | As is | by synthesis |
| P-851268442 | 95 | As is | by synthesis |
| P-675216396 | 95 | As is | in stock |
| P-524444409 | 97 | As is | 894 mg |
| P-31194760 | 90 | As is | 500 mg |
| P-474024870 | 95 | As is | in stock |
| P-608275929 | 98 | As is | in stock |
| P-1263956755 | 90 | As is | in stock |
| P-1263958597 | 90 | As is | in stock |
| P-889867550 | 95 | As is | by synthesis |
| P-579711568 | 98 | As is | in stock |
| P-869107586 | 95 | As is | 944 mg |
| P-892286198 | 95 | As is | 944 mg |
| P-888626622 | 95 | As is | 944 mg |
| P-502350221 | 90 | As is | in stock |
| P-33163268 | 90 | As is | 974 mg |
| P-611401843 | 90 | As is | in stock |
| P-580088054 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 236.277 |
| logP | 0.3573 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 144.03 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 48.7944 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 8 |
| Heteroatoms | 9 |
| N/O atoms | 7 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
