Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9653901495-0
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 | 29 USD | 98 | 15 working days | Get Quote |
| 5 mg | 38 USD | 98 | 11 working days | Get Quote |
| 10 mg | 38 USD | 98 | 11 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-9653901495-0.sdf |
| SMILES | MCULE-9653901495-0.smiles |
| Standard InChI | MCULE-9653901495-0.inchi |
| InChIKey | MCULE-9653901495-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867553905 | 98 | As is | in stock |
| P-875712442 | 98 | As is | in stock |
| P-613853804 | 98 | As is | by resynthesis (? - ? days) |
| P-903039429 | 98 | As is | 50 mg |
| P-1264054752 | 99 | As is | in stock |
| P-893521132 | 90 | As is | 499 mg |
| P-1270392498 | 98 | As is | in stock |
| P-889751827 | N/A | As is | in stock |
| P-865906052 | 98 | As is | 250 mg |
| P-1273452005 | 95 | As is | by resynthesis (? - ? days) |
| P-889772948 | 95 | As is | in stock |
| P-900154926 | 98 | As is | in stock |
| P-890239153 | 98 | As is | 68 mg |
| P-900267913 | N/A | As is | by resynthesis (? - ? days) |
| P-893228282 | 95 | As is | in stock |
| P-619353821 | 90 | As is | unavailable |
| P-452660770 | 98 | As is | in stock |
| P-861338373 | 95 | As is | by synthesis |
| P-579478139 | 95 | As is | in stock |
| P-901407843 | 98 | As is | 50 mg |
| P-675218536 | 95 | As is | in stock |
| P-488555699 | 92 | As is | in stock |
| P-873244689 | 97 | As is | 5 mg |
| P-896629327 | 95 | As is | by synthesis |
| P-854692050 | 95 | As is | in stock |
| P-872671426 | 95 | As is | in stock |
| P-608279347 | 98 | As is | in stock |
| P-590490258 | 80 | As is | 8 mg |
| P-869177443 | 95 | As is | in stock |
| P-892295494 | 95 | As is | unavailable |
| P-580051563 | 95 | As is | 190 mg |
| P-892337904 | 95 | As is | 190 mg |
| P-33162203 | 90 | As is | 177 mg |
| P-611487148 | 90 | As is | in stock |
| P-611526498 | 90 | As is | in stock |
| P-1271692224 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 352.293 |
| logP | 3.4059 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 99.11 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 93.557 |
| Atoms | 38 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 12 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
