Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9490869974-0
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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 11 USD | 98 | 20 working days | Get Quote |
| 10 mg | 11 USD | 98 | 20 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-9490869974-0.sdf |
| SMILES | MCULE-9490869974-0.smiles |
| Standard InChI | MCULE-9490869974-0.inchi |
| InChIKey | MCULE-9490869974-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867596643 | 98 | As is | in stock |
| P-875755131 | 98 | As is | in stock |
| P-1275182193 | 99 | As is | in stock |
| P-1275179382 | 98 | As is | in stock |
| P-580192671 | 98 | As is | in stock |
| P-1264047311 | 95 | As is | in stock |
| P-893617960 | 90 | As is | 58.644 g |
| P-1270271675 | 98 | As is | in stock |
| P-606931577 | N/A | As is | in stock |
| P-489194509 | 97 | As is | in stock |
| P-596958440 | 98 | As is | 25 g |
| P-1273456248 | 95 | As is | by resynthesis (? - ? days) |
| P-1273473347 | 95 | As is | by resynthesis (? - ? days) |
| P-864151369 | 95 | As is | in stock |
| P-900154546 | 99 | As is | in stock |
| P-868545563 | 99 | As is | in stock |
| P-580721441 | 98 | As is | 26.5 g |
| P-901519485 | 95 | As is | by synthesis |
| P-893219260 | 95 | As is | in stock |
| P-893232542 | 95 | As is | in stock |
| P-505573013 | 98 | As is | in stock |
| P-454618657 | 90 | As is | in stock |
| P-436466122 | 95 | As is | in stock |
| P-425134588 | 90 | As is | in stock |
| P-851268113 | 95 | As is | by synthesis |
| P-861286727 | 98 | As is | in stock |
| P-580450459 | 99 | As is | in stock |
| P-868615919 | 98 | As is | in stock |
| P-580759853 | 90 | As is | by synthesis |
| P-579476714 | 95 | As is | in stock |
| P-862056846 | 97 | As is | 75 g |
| P-500419102 | 98 | As is | in stock |
| P-505493271 | 95 | As is | in stock |
| P-524440355 | 97 | As is | 491 mg |
| P-1263125421 | 90 | As is | 491 mg |
| P-1272582453 | N/A | As is | 25 g |
| P-852447026 | N/A | As is | by synthesis |
| P-854713589 | 95 | As is | in stock |
| P-896627598 | 95 | As is | by synthesis |
| P-474024466 | 95 | As is | in stock |
| P-608276908 | 98 | As is | in stock |
| P-624074257 | 90 | As is | by synthesis |
| P-1263955864 | 90 | As is | in stock |
| P-1263958216 | 90 | As is | in stock |
| P-889879124 | 95 | As is | by synthesis |
| P-425011850 | 90 | As is | in stock |
| P-579710014 | 98 | As is | in stock |
| P-454210213 | 90 | As is | 21 mg |
| P-869110723 | 95 | As is | 333 mg |
| P-892287624 | 95 | As is | 333 mg |
| P-888628903 | 95 | As is | 333 mg |
| P-33163235 | 90 | As is | 5 mg |
| P-611428994 | 90 | As is | in stock |
| P-910730641 | 90 | As is | by synthesis |
| P-424742079 | 90 | As is | 1.619 g |
| P-666970351 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 270.207 |
| logP | 3.3271 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 55.13 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 60.6852 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 9 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
