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BMS 214428

CAT: 0013-GTR19195372-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195372-01Size:25 mg
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Description
BMS 214428 is a bioactive small molecule compound utilized in biochemical research. It serves as a valuable tool in in vitro studies for investigating cellular signaling pathways and has been referenced in research exploring molecular mechanisms relevant to oncology and metabolic diseases.
CAS Number
216508-01-9
Smiles
N#CNC (=NC1=CC=CC (=C1) C2C (C (=O) OC) =C (NC (=C2C (=O) OC) C) C) NCCCN3CCC (C=4C=CC=CC4) CC3
Molecular Formula
C33H40N6O4
Molecular Weight
584.71
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,5-Pyridinedicarboxylic acid, 4-(3-(((cyanoamino)((3-(4-phenyl-1-piperidinyl)propyl)amino)methylene)amino)phenyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester
CAS Number216508-01-9
PubChem CID44342097
IUPAC Namedimethyl 4-[3-[[N-cyano-N'-[3-(4-phenylpiperidin-1-yl)propyl]carbamimidoyl]amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC33H40N6O4
Molecular Weight584.7
XLogP4.9
Topological Polar Surface Area128
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count43
Formal Charge0
Complexity1090
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NC(=NCCCN3CCC(CC3)C4=CC=CC=C4)NC#N)C(=O)OC
InChI
InChI=1S/C33H40N6O4/c1-22-28(31(40)42-3)30(29(23(2)37-22)32(41)43-4)26-12-8-13-27(20-26)38-33(36-21-34)35-16-9-17-39-18-14-25(15-19-39)24-10-6-5-7-11-24/h5-8,10-13,20,25,30,37H,9,14-19H2,1-4H3,(H2,35,36,38)
InChIKey
GIOHMBUSIFGCJS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Pyridinedicarboxylic acid, 4-(3-(((cyanoamino)((3-(4-phenyl-1-piperidinyl)propyl)amino)methylene)amino)phenyl)-1,4-dihydro-2,6-dimethyl-, dimethyl ester
CAS: 216508-01-9
CID: 44342097
Formula: C33H40N6O4
MW: 584.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.7
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass584.31110378
Monoisotopic Mass584.31110378
Topological Polar Surface Area128 Ų
Heavy Atom Count43
Formal Charge0
Complexity1090
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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