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SB-423562 - Bio-X TM

CAT: 0926-BS300015Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-BS300015Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
351490-27-2
MDL Number
MFCD19443794
Smiles
CC (C) (CC1CC2=CC=CC=C2C1) NC[C@H] (COC3=C (C=CC (=C3) CCC (=O) O) C#N) O
Molecular Formula
C26H32N2O4
Molecular Weight
436.54 g/mol
Controlled
No

Chemical Information

SB-423562

a calcium-sensing receptor antagonist; structure in first source

CAS Number351490-27-2
PubChem CID9910902
IUPAC Name3-[4-cyano-3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]phenyl]propanoic acid
Molecular FormulaC26H32N2O4
Molecular Weight436.5
XLogP1.3
Topological Polar Surface Area103
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity643
SMILES
CC(C)(CC1CC2=CC=CC=C2C1)NC[C@H](COC3=C(C=CC(=C3)CCC(=O)O)C#N)O
InChI
InChI=1S/C26H32N2O4/c1-26(2,14-19-11-20-5-3-4-6-21(20)12-19)28-16-23(29)17-32-24-13-18(8-10-25(30)31)7-9-22(24)15-27/h3-7,9,13,19,23,28-29H,8,10-12,14,16-17H2,1-2H3,(H,30,31)/t23-/m1/s1
InChIKey
NJBFJCJKWWIKRD-HSZRJFAPSA-N
Chemical Structure
2D Structure
2D structure of SB-423562
CAS: 351490-27-2
CID: 9910902
Formula: C26H32N2O4
MW: 436.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight436.5
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass436.23620751
Monoisotopic Mass436.23620751
Topological Polar Surface Area103 Ų
Heavy Atom Count32
Formal Charge0
Complexity643
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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034382-FITCCXCL2, CT (CXCL2, GRO2, GROB, MIP2A, SCYB2, C-X-C motif chemokine 2, Growth-regulated protein beta, Macrophage inflammatory protein 2-alpha, GRO-beta (5-73), GRO-beta-T, Hematopoietic synergistic factor, SB-251353) (FITC) discontinued
034382-APCXCL2, CT (CXCL2, GRO2, GROB, MIP2A, SCYB2, C-X-C motif chemokine 2, Growth-regulated protein beta, Macrophage inflammatory protein 2-alpha, GRO-beta (5-73), GRO-beta-T, Hematopoietic synergistic factor, SB-251353) (AP) discontinued
034382-BiotinCXCL2, CT (CXCL2, GRO2, GROB, MIP2A, SCYB2, C-X-C motif chemokine 2, Growth-regulated protein beta, Macrophage inflammatory protein 2-alpha, GRO-beta (5-73), GRO-beta-T, Hematopoietic synergistic factor, SB-251353) (Biotin) discontinued