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RGB-286638

CAT: 0926-JGB21087-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-JGB21087-01Size:25 mg
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CAS Number
784210-87-3
MDL Number
MFCD18633230
Smiles
COCCN1CCN (CC1) CC2=CC=C (C=C2) C3=NNC4=C3C (=O) C5=C4C=CC=C5NC (=O) NN6CCOCC6.Cl.Cl
Molecular Formula
C29H37Cl2N7O4
Molecular Weight
618.55 g/mol
Controlled
No

Chemical Information

Rgb 286638

a protein kinase inhibitor; structure in first source

CAS Number784210-87-3
PubChem CID11285001
IUPAC Name1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea;dihydrochloride
Molecular FormulaC29H37Cl2N7O4
Molecular Weight618.6
Topological Polar Surface Area115
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity857
SMILES
COCCN1CCN(CC1)CC2=CC=C(C=C2)C3=NNC4=C3C(=O)C5=C4C=CC=C5NC(=O)NN6CCOCC6.Cl.Cl
InChI
InChI=1S/C29H35N7O4.2ClH/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36;;/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38);2*1H
InChIKey
WJVMGQMXUBAAPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rgb 286638
CAS: 784210-87-3
CID: 11285001
Formula: C29H37Cl2N7O4
MW: 618.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight618.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass617.2284081
Monoisotopic Mass617.2284081
Topological Polar Surface Area115 Ų
Heavy Atom Count42
Formal Charge0
Complexity857
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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BA3782-50RGB-286638
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A13130-5RGB-286638 5mg
2886-25RGB-286638,  free base
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