Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4199431303
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 | 8 USD | 99 | 22 working days | Get Quote |
| 5 mg | 19 USD | 99 | 22 working days | Get Quote |
| 10 mg | 25 USD | 99 | 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-4199431303.sdf |
| SMILES | MCULE-4199431303.smiles |
| Standard InChI | MCULE-4199431303.inchi |
| InChIKey | MCULE-4199431303.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886572696 | 98 | As is | in stock |
| P-886601689 | 99 | As is | in stock |
| P-590360783 | 99 | As is | in stock |
| P-610960939 | 90 | As is | 700 mg |
| P-893509319 | 90 | As is | 4.743 g |
| P-606874196 | N/A | As is | in stock |
| P-878260753 | N/A | As is | in stock |
| P-489239144 | 97 | As is | in stock |
| P-580194271 | 98 | As is | in stock |
| P-889550473 | 95 | As is | in stock |
| P-901335925 | 95 | As is | in stock |
| P-868544250 | 98 | As is | in stock |
| P-901415492 | 95 | As is | in stock |
| P-3394749 | 90 | As is | 102 mg |
| P-425216554 | 90 | As is | in stock |
| P-860799307 | 98 | As is | in stock |
| P-860798561 | 98 | As is | in stock |
| P-580331342 | 95 | As is | by resynthesis (? - ? days) |
| P-870660456 | N/A | As is | in stock |
| P-868079320 | 95 | As is | in stock |
| P-12463527 | 95 | As is | 14 mg |
| P-596561712 | 97 | As is | 50 mg |
| P-873242604 | 97 | As is | 50 mg |
| P-888876857 | N/A | As is | in stock |
| P-889883807 | 95 | As is | by synthesis |
| P-520088335 | 90 | As is | in stock |
| P-579712354 | N/A | As is | in stock |
| P-453917738 | 90 | As is | 4 mg |
| P-869123874 | 95 | As is | by synthesis |
| P-892254373 | 95 | As is | by synthesis |
| P-892290215 | 95 | As is | unavailable |
| P-904251182 | 95 | As is | unavailable |
| P-888637836 | 95 | As is | 92 mg |
| P-892339113 | 95 | As is | 775 mg |
| P-903708072 | 94 | As is | by resynthesis (? - ? days) |
| P-596714953 | 90 | As is | 1 mg |
| P-2215719 | 90 | As is | 14 mg |
| P-893986944 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 249.331 |
| logP | 2.3819 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 59.47 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 71.744 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
