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SJF620

CAT: 0926-BVD18716-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-BVD18716-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2376187-16-3
Smiles
C1CC (=O) NC (=O) C1N2CC3=C (C2=O) C=CC (=C3) OCCOCCOCCN4CCC (CC4) N5C6=NC=NC (=C6C (=N5) C7=CC=C (C=C7) OC8=CC=CC=C8) N
Molecular Formula
C41H44N8O7
Molecular Weight
760.8 g/mol
Controlled
No

Chemical Information

3-(5-{2-[2-(2-{4-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}ethoxy)ethoxy]ethoxy}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CAS Number2376187-16-3
PubChem CID139466026
IUPAC Name3-[6-[2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Molecular FormulaC41H44N8O7
Molecular Weight760.8
XLogP3.2
Topological Polar Surface Area176
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Heavy Atom Count56
Formal Charge0
Complexity1310
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)OCCOCCOCCN4CCC(CC4)N5C6=NC=NC(=C6C(=N5)C7=CC=C(C=C7)OC8=CC=CC=C8)N
InChI
InChI=1S/C41H44N8O7/c42-38-36-37(27-6-8-31(9-7-27)56-30-4-2-1-3-5-30)46-49(39(36)44-26-43-38)29-14-16-47(17-15-29)18-19-53-20-21-54-22-23-55-32-10-11-33-28(24-32)25-48(41(33)52)34-12-13-35(50)45-40(34)51/h1-11,24,26,29,34H,12-23,25H2,(H2,42,43,44)(H,45,50,51)
InChIKey
UJJYPBWMGIPXOE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(5-{2-[2-(2-{4-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}ethoxy)ethoxy]ethoxy}-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CAS: 2376187-16-3
CID: 139466026
Formula: C41H44N8O7
MW: 760.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight760.8
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Exact Mass760.33329577
Monoisotopic Mass760.33329577
Topological Polar Surface Area176 Ų
Heavy Atom Count56
Formal Charge0
Complexity1310
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8824-5SJF620
GTR19221835-01SJF620 hydrochloride
HY-133137A-01SJF620 (hydrochloride)

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