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SN32976

CAT: 0931-T9788-07Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T9788-07Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1246202-11-8
Target
MTOR, PI3K
Related Pathways
PI3K/Akt/mTOR signaling
Purity
0.9888
Bioactivity
SN32976 is a pan PI3K inhibitor. SN32976 potently inhibited PI3K isoforms and mTOR, displaying preferential activity for PI3Kα and sparing of PI3Kδ.
Smiles
C(F)(F)C=1N(C=2C(N1)=C(OC)C=CC2)C=3N=C(N=C(N3)N4CCOCC4)N5CCN(S(CCN(C)C)(=O)=O)CC5
Molecular Formula
C24H33F2N9O4S
Molecular Weight
581.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[2-({4-[4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-1-piperazinyl}sulfonyl)ethyl]-N,N-dimethylamine
CAS Number1246202-11-8
PubChem CID46917573
IUPAC Name2-[4-[4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]sulfonyl-N,N-dimethylethanamine
Molecular FormulaC24H33F2N9O4S
Molecular Weight581.6
XLogP1.7
Topological Polar Surface Area130
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity919
SMILES
CN(C)CCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=N2)N3C4=C(C(=CC=C4)OC)N=C3C(F)F)N5CCOCC5
InChI
InChI=1S/C24H33F2N9O4S/c1-31(2)13-16-40(36,37)34-9-7-32(8-10-34)22-28-23(33-11-14-39-15-12-33)30-24(29-22)35-17-5-4-6-18(38-3)19(17)27-21(35)20(25)26/h4-6,20H,7-16H2,1-3H3
InChIKey
MKRQBWZUYRPLDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-({4-[4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]-1-piperazinyl}sulfonyl)ethyl]-N,N-dimethylamine
CAS: 1246202-11-8
CID: 46917573
Formula: C24H33F2N9O4S
MW: 581.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.6
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Exact Mass581.23442807
Monoisotopic Mass581.23442807
Topological Polar Surface Area130 Ų
Heavy Atom Count40
Formal Charge0
Complexity919
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
BA8724-1SN32976

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