Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8220679702
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 | 6 USD | 98 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 22 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-8220679702.sdf |
| SMILES | MCULE-8220679702.smiles |
| Standard InChI | MCULE-8220679702.inchi |
| InChIKey | MCULE-8220679702.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867659951 | 98 | As is | in stock |
| P-875828396 | N/A | As is | in stock |
| P-869193553 | 95 | As is | in stock |
| P-505354541 | 98 | As is | in stock |
| P-505388999 | 98 | As is | in stock |
| P-903202984 | 98 | As is | 2.5 kg |
| P-606876952 | N/A | As is | in stock |
| P-489190704 | 97 | As is | in stock |
| P-596972009 | 98 | As is | 500 g |
| P-864110769 | 97 | As is | in stock |
| P-580700767 | 95 | As is | 1.75855 kg |
| P-893237031 | 95 | As is | in stock |
| P-505572987 | 98 | As is | in stock |
| P-619929759 | 90 | As is | by synthesis |
| P-851278418 | 95 | As is | by synthesis |
| P-868577453 | 97 | As is | in stock |
| P-579476532 | 95 | As is | in stock |
| P-580401579 | 95 | As is | by resynthesis (? - ? days) |
| P-579804945 | 90 | As is | in stock |
| P-862071822 | 98 | As is | 8 g |
| P-870652934 | 98 | As is | in stock |
| P-505493141 | 95 | As is | in stock |
| P-890849958 | 95 | As is | in stock |
| P-870569450 | 90 | As is | in stock |
| P-488555825 | 92 | As is | in stock |
| P-488546858 | 90 | As is | in stock |
| P-524441575 | 97 | As is | 529 mg |
| P-896628264 | 95 | As is | by synthesis |
| P-854716401 | 95 | As is | in stock |
| P-896072659 | 95 | As is | in stock |
| P-617666261 | 90 | As is | 50 mg |
| P-454366640 | 92 | As is | in stock |
| P-13626891 | 92 | As is | 300 mg |
| P-500371847 | 98 | As is | by synthesis |
| P-1263958261 | 90 | As is | in stock |
| P-885523694 | 95 | As is | by synthesis |
| P-19835171 | 90 | As is | in stock |
| P-579711038 | N/A | As is | in stock |
| P-869107659 | 95 | As is | by synthesis |
| P-892286264 | 95 | As is | unavailable |
| P-888626692 | 95 | As is | 187 mg |
| P-873223303 | 90 | As is | in stock |
| P-906770940 | 98 | As is | by synthesis |
| P-611421520 | 90 | As is | in stock |
| P-611420396 | 90 | As is | in stock |
| P-1784744 | 90 | As is | 1.006 g |
| P-3227638 | 90 | As is | 1.006 g |
| P-575297518 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 185.181 |
| logP | 1.0037 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 83.87 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 48.0528 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
