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CHMFL-PI3KD-317 50mg

CAT: 0628-A19990-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A19990-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2244992-76-3

Chemical Information

Chmfl-PI3KD-317
CAS Number2244992-76-3
PubChem CID137333450
IUPAC Name(2S)-2-amino-N-[5-[6-chloro-5-[(3-methylphenyl)sulfonylamino]-3-pyridinyl]-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide
Molecular FormulaC21H24ClN5O3S2
Molecular Weight494.0
XLogP3.8
Topological Polar Surface Area164
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity750
SMILES
CC1=CC(=CC=C1)S(=O)(=O)NC2=C(N=CC(=C2)C3=C(N=C(S3)NC(=O)[C@H](C(C)C)N)C)Cl
InChI
InChI=1S/C21H24ClN5O3S2/c1-11(2)17(23)20(28)26-21-25-13(4)18(31-21)14-9-16(19(22)24-10-14)27-32(29,30)15-7-5-6-12(3)8-15/h5-11,17,27H,23H2,1-4H3,(H,25,26,28)/t17-/m0/s1
InChIKey
PIBKKQFQADCDAW-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of Chmfl-PI3KD-317
CAS: 2244992-76-3
CID: 137333450
Formula: C21H24ClN5O3S2
MW: 494.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.0
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass493.1009097
Monoisotopic Mass493.1009097
Topological Polar Surface Area164 Ų
Heavy Atom Count32
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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