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BPKDi

CAT: 0931-T25172-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T25172-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1201673-28-0
Target
Others, Serine/threonin kinase
Related Pathways
Others, Cell Cycle/Checkpoint, Metabolism
Bioactivity
BPKDi is a potent and selective inhibitor of PKD (protein kinase D) .
Smiles
C(N)(=O)C=1C=C(N=C(C1)N2CCNCC2)C=3C=C(NC4CCCCC4)N=CC3
Molecular Formula
C21H28N6O
Molecular Weight
380.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BPKDi
CAS Number1201673-28-0
PubChem CID46901383
IUPAC Name2-[2-(cyclohexylamino)-4-pyridinyl]-6-piperazin-1-ylpyridine-4-carboxamide
Molecular FormulaC21H28N6O
Molecular Weight380.5
XLogP2.2
Topological Polar Surface Area96.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity505
SMILES
C1CCC(CC1)NC2=NC=CC(=C2)C3=NC(=CC(=C3)C(=O)N)N4CCNCC4
InChI
InChI=1S/C21H28N6O/c22-21(28)16-12-18(26-20(14-16)27-10-8-23-9-11-27)15-6-7-24-19(13-15)25-17-4-2-1-3-5-17/h6-7,12-14,17,23H,1-5,8-11H2,(H2,22,28)(H,24,25)
InChIKey
XNWDRALEEPGBHB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BPKDi
CAS: 1201673-28-0
CID: 46901383
Formula: C21H28N6O
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass380.23245954
Monoisotopic Mass380.23245954
Topological Polar Surface Area96.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity505
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
MBS5774907BPKDi

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