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Selective PI3Kδ Inhibitor 1

CAT: 0931-T5831-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T5831-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2088525-31-7
Target
PI3K
Related Pathways
PI3K/Akt/mTOR signaling
Purity
0.98
Bioactivity
Selective PI3Kδ Inhibitor 1 is a PI3Kδ Inhibitor (IC50 = 0.9 nM) .
Smiles
CN1C(C2(CC2)C3=CC=CC=C3)=NC(=N1)C4=NC(=C(N)N=C4)C5=CC(F)=C(C(N)=O)C=C5
Molecular Formula
C23H20FN7O
Molecular Weight
429.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Selective PI3Kdelta Inhibitor 1
CAS Number2088525-31-7
PubChem CID137661516
IUPAC Name4-[3-amino-6-[1-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-2-fluorobenzamide
Molecular FormulaC23H20FN7O
Molecular Weight429.4
XLogP2.1
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity685
SMILES
CN1C(=NC(=N1)C2=CN=C(C(=N2)C3=CC(=C(C=C3)C(=O)N)F)N)C4(CC4)C5=CC=CC=C5
InChI
InChI=1S/C23H20FN7O/c1-31-22(23(9-10-23)14-5-3-2-4-6-14)29-21(30-31)17-12-27-19(25)18(28-17)13-7-8-15(20(26)32)16(24)11-13/h2-8,11-12H,9-10H2,1H3,(H2,25,27)(H2,26,32)
InChIKey
YPTMZNNBDPEMOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Selective PI3Kdelta Inhibitor 1
CAS: 2088525-31-7
CID: 137661516
Formula: C23H20FN7O
MW: 429.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.4
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass429.17133645
Monoisotopic Mass429.17133645
Topological Polar Surface Area126 Ų
Heavy Atom Count32
Formal Charge0
Complexity685
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

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A22381-5Selective PI3Kδ Inhibitor 1 (compound 7n) 5mg
A22381-1Selective PI3Kδ Inhibitor 1 (compound 7n) 1mg
A22381-50Selective PI3Kδ Inhibitor 1 (compound 7n) 50mg
A22381-25Selective PI3Kδ Inhibitor 1 (compound 7n) 25mg
A22381-10Selective PI3Kδ Inhibitor 1 (compound 7n) 10mg

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