Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2681916511
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 | 5 USD | 95 | 14 working days | Get Quote |
| 5 mg | 5 USD | 95 | 14 working days | Get Quote |
| 10 mg | 5 USD | 95 | 14 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-2681916511.sdf |
| SMILES | MCULE-2681916511.smiles |
| Standard InChI | MCULE-2681916511.inchi |
| InChIKey | MCULE-2681916511.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867599002 | 95 | As is | in stock |
| P-875756972 | N/A | As is | in stock |
| P-597026062 | 95 | As is | in stock |
| P-869190580 | 95 | As is | in stock |
| P-505390976 | 99 | As is | in stock |
| P-903092511 | 95 | As is | 1000 g |
| P-1264050638 | 95 | As is | in stock |
| P-606898593 | N/A | As is | in stock |
| P-489194813 | 97 | As is | in stock |
| P-596958983 | 95 | As is | 1000 g |
| P-589657675 | 95 | As is | by resynthesis (? - ? days) |
| P-864146369 | 95 | As is | in stock |
| P-580709250 | 95 | As is | 777 g |
| P-611158814 | 95 | As is | by synthesis |
| P-893228011 | 95 | As is | in stock |
| P-505576028 | 98 | As is | in stock |
| P-868577593 | 95 | As is | in stock |
| P-580303202 | 95 | As is | by resynthesis (? - ? days) |
| P-905348878 | 95 | As is | 87 g |
| P-862048333 | 95 | As is | 87 g |
| P-870656894 | N/A | As is | in stock |
| P-890210197 | 90 | As is | 10 g |
| P-579516397 | 90 | As is | 10 g |
| P-31248666 | 90 | As is | unavailable |
| P-613277275 | 95 | As is | by synthesis |
| P-904059736 | 95 | As is | by synthesis |
| P-863733733 | 95 | As is | in stock |
| P-608276662 | 98 | As is | in stock |
| P-500376821 | 99 | As is | by synthesis |
| P-1263955817 | 90 | As is | in stock |
| P-1263958206 | 90 | As is | in stock |
| P-859985307 | 95 | As is | by synthesis |
| P-620945721 | N/A | As is | in stock |
| P-596765883 | 95 | As is | 1.28225 kg |
| P-464629930 | 95 | As is | by synthesis |
| P-892287917 | 95 | As is | unavailable |
| P-888629647 | 95 | As is | 55 mg |
| P-906777233 | 99 | As is | by synthesis |
| P-855024442 | 90 | As is | in stock |
| P-893938236 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 129.114 |
| logP | 0.3602 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 55.4 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 32.6637 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
