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CG 428

CAT: 0013-GTR19188508-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188508-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CG 428
CAS Number
2412055-93-5
Product Name Alternative
Trk, Trkreceptor, TrkB, TrkC, Trk receptor, TrkA, CG 428, CG428, CG-428
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Purity
98.00% (May vary between batches)
Solubility
DMSO:90 mg/mL (110.45 mM)
Smiles
O=C1C=2C (C (=O) N1C3C (=O) NC (=O) CC3) =CC=CC2NCCOCCC (=O) N4CCN (CC4) C=5N=C (C=CC5) C=6N7C (=NC6) C=CC (=N7) N8[C@H] (CCC8) C9=CC (F) =CC=C9
Molecular Formula
C43H43FN10O6
Molecular Weight
814.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(2,6-dioxopiperidin-3-yl)-4-[2-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]isoindole-1,3-dione
CAS Number2412055-93-5
PubChem CID146410727
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-4-[2-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]isoindole-1,3-dione
Molecular FormulaC43H43FN10O6
Molecular Weight814.9
XLogP3.5
Topological Polar Surface Area175
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Heavy Atom Count60
Formal Charge0
Complexity1590
SMILES
C1C[C@@H](N(C1)C2=NN3C(=NC=C3C4=NC(=CC=C4)N5CCN(CC5)C(=O)CCOCCNC6=CC=CC7=C6C(=O)N(C7=O)C8CCC(=O)NC8=O)C=C2)C9=CC(=CC=C9)F
InChI
InChI=1S/C43H43FN10O6/c44-28-6-1-5-27(25-28)32-10-4-18-52(32)37-14-13-35-46-26-34(54(35)49-37)30-8-3-11-36(47-30)50-19-21-51(22-20-50)39(56)16-23-60-24-17-45-31-9-2-7-29-40(31)43(59)53(42(29)58)33-12-15-38(55)48-41(33)57/h1-3,5-9,11,13-14,25-26,32-33,45H,4,10,12,15-24H2,(H,48,55,57)/t32-,33?/m1/s1
InChIKey
FWANKJAOTQAHHR-KWRHIPAJSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[3-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-3-oxopropoxy]ethylamino]isoindole-1,3-dione
CAS: 2412055-93-5
CID: 146410727
Formula: C43H43FN10O6
MW: 814.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight814.9
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count12
Exact Mass814.33510729
Monoisotopic Mass814.33510729
Topological Polar Surface Area175 Ų
Heavy Atom Count60
Formal Charge0
Complexity1590
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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