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GNF179

CAT: 0013-GTR19156308-08Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156308-08Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GNF179 is an optimized 8,8-dimethyl IP analog. It exhibited the potency (4.8 nM against the multidrug resistant strain W2) in vitro metabolic stability and in vivo oral bioavailability.
CAS Number
1261114-01-5
Purity
>98% (HPLC)
Solubility
DMSO:120 mg/mL (280.44 mM)
Smiles
CC (C) (c1nc (-c (cc2) ccc2F) c (Nc (cc2) ccc2Cl) n1CC1) N1C (CN) =O
Molecular Formula
C22H23ClFN5O
Molecular Weight
427.9
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-amino-1-(3-((4-chlorophenyl)amino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)ethanone
CAS Number1261114-01-5
PubChem CID58178960
IUPAC Name2-amino-1-[3-(4-chloroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone
Molecular FormulaC22H23ClFN5O
Molecular Weight427.9
XLogP3
Topological Polar Surface Area76.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity606
SMILES
CC1(C2=NC(=C(N2CCN1C(=O)CN)NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F)C
InChI
InChI=1S/C22H23ClFN5O/c1-22(2)21-27-19(14-3-7-16(24)8-4-14)20(26-17-9-5-15(23)6-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3
InChIKey
KFSKTWYDIHJITF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-amino-1-(3-((4-chlorophenyl)amino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)ethanone
CAS: 1261114-01-5
CID: 58178960
Formula: C22H23ClFN5O
MW: 427.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.9
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass427.1575162
Monoisotopic Mass427.1575162
Topological Polar Surface Area76.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity606
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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