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BX-320

CAT: 1410-M15697-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M15697-04Size:100 mg
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Description
BX-320 is a potent, selective and ATP-competitive inhibitor of PDK1 with IC50 of 30 nM.
CAS Number
702676-93-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
547.458
Molecular Formula
C23H31BrN8O3
Notes
Research use only, not for human use.
Receptor
PDK

Chemical Information

BX-320
CAS Number702676-93-5
PubChem CID657138
IUPAC NameN'-[3-[[5-bromo-2-[3-(pyrrolidine-1-carbonylamino)anilino]pyrimidin-4-yl]amino]propyl]-2,2-dimethylpropanediamide
Molecular FormulaC23H31BrN8O3
Molecular Weight547.4
XLogP3
Topological Polar Surface Area154
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity734
SMILES
CC(C)(C(=O)N)C(=O)NCCCNC1=NC(=NC=C1Br)NC2=CC(=CC=C2)NC(=O)N3CCCC3
InChI
InChI=1S/C23H31BrN8O3/c1-23(2,19(25)33)20(34)27-10-6-9-26-18-17(24)14-28-21(31-18)29-15-7-5-8-16(13-15)30-22(35)32-11-3-4-12-32/h5,7-8,13-14H,3-4,6,9-12H2,1-2H3,(H2,25,33)(H,27,34)(H,30,35)(H2,26,28,29,31)
InChIKey
ZNSULAZTNWFKEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BX-320
CAS: 702676-93-5
CID: 657138
Formula: C23H31BrN8O3
MW: 547.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight547.4
XLogP33
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass546.17025
Monoisotopic Mass546.17025
Topological Polar Surface Area154 Ų
Heavy Atom Count35
Formal Charge0
Complexity734
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