Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6949003649
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 | 11 USD | 99 | 14 working days | Get Quote |
| 5 mg | 11 USD | 99 | 14 working days | Get Quote |
| 10 mg | 11 USD | 99 | 14 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-6949003649.sdf |
| SMILES | MCULE-6949003649.smiles |
| Standard InChI | MCULE-6949003649.inchi |
| InChIKey | MCULE-6949003649.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875722557 | 98 | As is | in stock |
| P-1275167897 | 98 | As is | in stock |
| P-903051941 | 99 | As is | 300 g |
| P-1270286113 | 99 | As is | in stock |
| P-606832106 | N/A | As is | in stock |
| P-596987431 | 98 | As is | 100 g |
| P-895922616 | 95 | As is | by resynthesis (? - ? days) |
| P-864193783 | 95 | As is | in stock |
| P-868616243 | 98 | As is | in stock |
| P-580304682 | 95 | As is | by resynthesis (? - ? days) |
| P-862148972 | 98 | As is | 184 g |
| P-1273120498 | 98 | As is | 61 g |
| P-870661772 | N/A | As is | in stock |
| P-596563154 | 95 | As is | 5 g |
| P-31276715 | 90 | As is | 10 g |
| P-856043866 | 90 | As is | 10 g |
| P-1267010229 | 95 | As is | in stock |
| P-500398028 | 99 | As is | by synthesis |
| P-1274336497 | 95 | As is | unavailable |
| P-1274348400 | 95 | As is | 991 mg |
| P-1274358782 | 95 | As is | 991 mg |
| P-502369150 | 90 | As is | in stock |
| P-611443693 | 90 | As is | in stock |
| P-1271673186 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 156.223 |
| logP | 3.4022 |
| H-bond acceptors | 0 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 0.0 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 53.721 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 12 |
| Heteroatoms | 0 |
| N/O atoms | 0 |
| 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 |
