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A 37203

CAT: 0926-VIA51906-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-VIA51906-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
220519-06-2
Smiles
CC (C) (C) C1=NC (=CC (=N1) N2CCN (CC2) CCCSC3=NC=CC (=O) N3) C (F) (F) F
Molecular Formula
C20H27F3N6OS
Molecular Weight
456.5 g/mol
Controlled
No

Chemical Information

ABT-925 anhydrous free base

See also: Abt-925 (is active moiety of); abt-925 anhydrous (is active moiety of).

CAS Number220519-06-2
PubChem CID9916104
IUPAC Name2-[3-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]propylsulfanyl]-1H-pyrimidin-6-one
Molecular FormulaC20H27F3N6OS
Molecular Weight456.5
XLogP3.4
Topological Polar Surface Area99
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity685
SMILES
CC(C)(C)C1=NC(=CC(=N1)N2CCN(CC2)CCCSC3=NC=CC(=O)N3)C(F)(F)F
InChI
InChI=1S/C20H27F3N6OS/c1-19(2,3)17-25-14(20(21,22)23)13-15(26-17)29-10-8-28(9-11-29)7-4-12-31-18-24-6-5-16(30)27-18/h5-6,13H,4,7-12H2,1-3H3,(H,24,27,30)
InChIKey
KXVAICSRMHXLJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ABT-925 anhydrous free base
CAS: 220519-06-2
CID: 9916104
Formula: C20H27F3N6OS
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass456.19191517
Monoisotopic Mass456.19191517
Topological Polar Surface Area99 Ų
Heavy Atom Count31
Formal Charge0
Complexity685
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
TRC-A101030-50MGA 37203
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NB120-10966Mouse Monoclonal PLGF Antibody (37203.111)
NB120-10966HMouse Monoclonal PLGF Antibody (37203.111) [HRP]
NB120-10966BMouse Monoclonal PLGF Antibody (37203.111) [Biotin]
NB120-10966FMouse Monoclonal PLGF Antibody (37203.111) [FITC]
NB120-10966CL1Mouse Monoclonal PLGF Antibody (37203.111) [CoraFluor 1]
NB120-10966UVMouse Monoclonal PLGF Antibody (37203.111) [DyLight 350]
NB120-10966IRMouse Monoclonal PLGF Antibody (37203.111) [DyLight 755]

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