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I-191

CAT: 0013-GTR19167524-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167524-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
I-191
CAS Number
1690172-25-8
Product Name Alternative
Inhibitor, I 191, I191, I-191, inhibit, PAR-2, ProteaseactivatedReceptor, Proteaseactivated Receptor, Protease-Activated Receptor (PAR), Protease Activated Receptor (PAR), Thrombin receptors
Field of Research
Pharmacology & Drug Discovery
Purity
98.00% (May vary between batches)
Solubility
DMSO:8.33 mg/mL (19.67 mM)
Smiles
CC (C) (C) c1cc (nn2cc (nc12) C (=O) N1CCNC (=O) C1 (C) C) -c1ccc (F) cc1
Molecular Formula
C23H26FN5O2
Molecular Weight
423.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(8-(tert-Butyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one
CAS Number1690172-25-8
PubChem CID117977934
IUPAC Name4-[8-tert-butyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl]-3,3-dimethylpiperazin-2-one
Molecular FormulaC23H26FN5O2
Molecular Weight423.5
XLogP3.3
Topological Polar Surface Area79.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity701
SMILES
CC1(C(=O)NCCN1C(=O)C2=CN3C(=N2)C(=CC(=N3)C4=CC=C(C=C4)F)C(C)(C)C)C
InChI
InChI=1S/C23H26FN5O2/c1-22(2,3)16-12-17(14-6-8-15(24)9-7-14)27-29-13-18(26-19(16)29)20(30)28-11-10-25-21(31)23(28,4)5/h6-9,12-13H,10-11H2,1-5H3,(H,25,31)
InChIKey
DTASTQAQBOZSRR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(8-(tert-Butyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carbonyl)-3,3-dimethylpiperazin-2-one
CAS: 1690172-25-8
CID: 117977934
Formula: C23H26FN5O2
MW: 423.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass423.20705325
Monoisotopic Mass423.20705325
Topological Polar Surface Area79.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity701
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
QSC17225-01I-191
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A18629-1I-191 1mg
JH914291I-191 (I191)
A18629-50I-191 50mg
A18629-25I-191 25mg
A18629-10I-191 10mg
A18629-5I-191 5mg
A18629-2I-191 2mg

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