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CEP-33779

CAT: 0013-GTR19164158-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19164158-01Size:1 g
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Description
CEP-33779 is a novel, selective, and orally bioavailable inhibitor of JAK2 with an IC50 of 1.8±0.6 nM.
CAS Number
1257704-57-6
Product Name Alternative
CEP33779 | CEP-33779 | CEP 33779.
Purity
>98% (HPLC)
Solubility
DMSO:93 mg/mL (201.05 mM) ; Ethanol:<1 mg/mL (<1 mM) ; Water:<1 mg/mL (<1 mM)
Smiles
O=S (C1=CC=C (C2=CC=CN3C2=NC (NC4=CC=CC (N5CCN (C) CC5) =C4) =N3) C=C1) (C) =O
Molecular Formula
C24H26N6O2S
Molecular Weight
462.57
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
N- (3- (4-methylpiperazin-1-yl) phenyl) -8- (4- (methylsulfonyl) phenyl) -[1,2,4]triazolo[1,5-a]pyridin-2-amine

Chemical Information

Cep-33779
CAS Number1257704-57-6
PubChem CID57336812
IUPAC NameN-[3-(4-methylpiperazin-1-yl)phenyl]-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
Molecular FormulaC24H26N6O2S
Molecular Weight462.6
XLogP3.4
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity745
SMILES
CN1CCN(CC1)C2=CC=CC(=C2)NC3=NN4C=CC=C(C4=N3)C5=CC=C(C=C5)S(=O)(=O)C
InChI
InChI=1S/C24H26N6O2S/c1-28-13-15-29(16-14-28)20-6-3-5-19(17-20)25-24-26-23-22(7-4-12-30(23)27-24)18-8-10-21(11-9-18)33(2,31)32/h3-12,17H,13-16H2,1-2H3,(H,25,27)
InChIKey
RFZKSQIFOZZIAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cep-33779
CAS: 1257704-57-6
CID: 57336812
Formula: C24H26N6O2S
MW: 462.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.6
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass462.18379527
Monoisotopic Mass462.18379527
Topological Polar Surface Area91.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity745
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
A4146-50CEP-33779
FC137660-01CEP 33779

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