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GW779439X

CAT: 0607-BA1240-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1240-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
551919-98-3
Form
A solid
Molecular Formula
C22H21F3N8
Molecular Weight
454.45
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

GW779439X
CAS Number551919-98-3
PubChem CID10173796
IUPAC NameN-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
Molecular FormulaC22H21F3N8
Molecular Weight454.5
XLogP3.3
Topological Polar Surface Area74.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity644
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=CC(=N3)C4=C5C=CC=NN5N=C4)C(F)(F)F
InChI
InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30)
InChIKey
ZOTNSCLLJKXGSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GW779439X
CAS: 551919-98-3
CID: 10173796
Formula: C22H21F3N8
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass454.18412719
Monoisotopic Mass454.18412719
Topological Polar Surface Area74.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity644
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

Alternative Products

CatalogName
GTR19167058-01GW779439X
A22083-1GW779439X 1mg
A22083-50GW779439X 50mg
A22083-10GW779439X 10mg
A22083-100GW779439X 100mg
A22083-5GW779439X 5mg
A22083-25GW779439X 25mg
A22083-2GW779439X 2mg

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