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DBRD9-A

CAT: 0013-GTR19192096Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192096Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DBRD9-A
CAS Number
2170679-42-0
Field of Research
Epigenetics & Chromatin, Pharmacology & Drug Discovery
Smiles
O=C1C=2C (C (=O) N1C3C (=O) NC (=O) CC3) =CC=CC2NCCCCCCCCNC (CN (CC4=C (OC) C=C (C=C4OC) C=5C=6C (C (=O) N (C) C5) =CN=CC6) C) =O
Molecular Formula
C42H49N7O8
Molecular Weight
779.88
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-((2,6-Dimethoxy-4-(2-methyl-1-oxo-1,2-dihydro-2,7-naphthyridin-4-yl)benzyl)(methyl)amino)-N-(8-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)octyl)acetamide
CAS Number2170679-42-0
PubChem CID139370810
IUPAC Name2-[[2,6-dimethoxy-4-(2-methyl-1-oxo-2,7-naphthyridin-4-yl)phenyl]methyl-methylamino]-N-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octyl]acetamide
Molecular FormulaC42H49N7O8
Molecular Weight779.9
XLogP3.7
Topological Polar Surface Area180
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Heavy Atom Count57
Formal Charge0
Complexity1490
SMILES
CN1C=C(C2=C(C1=O)C=NC=C2)C3=CC(=C(C(=C3)OC)CN(C)CC(=O)NCCCCCCCCNC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O)OC
InChI
InChI=1S/C42H49N7O8/c1-47(23-31-34(56-3)20-26(21-35(31)57-4)30-24-48(2)40(53)29-22-43-19-16-27(29)30)25-37(51)45-18-10-8-6-5-7-9-17-44-32-13-11-12-28-38(32)42(55)49(41(28)54)33-14-15-36(50)46-39(33)52/h11-13,16,19-22,24,33,44H,5-10,14-15,17-18,23,25H2,1-4H3,(H,45,51)(H,46,50,52)
InChIKey
ZDINQSNMYRVAGP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((2,6-Dimethoxy-4-(2-methyl-1-oxo-1,2-dihydro-2,7-naphthyridin-4-yl)benzyl)(methyl)amino)-N-(8-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)octyl)acetamide
CAS: 2170679-42-0
CID: 139370810
Formula: C42H49N7O8
MW: 779.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight779.9
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count18
Exact Mass779.36426155
Monoisotopic Mass779.36426155
Topological Polar Surface Area180 Ų
Heavy Atom Count57
Formal Charge0
Complexity1490
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

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