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Nutlin-2

CAT: 0931-T69114-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T69114-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
548472-76-0
Target
Others
Related Pathways
Others
Bioactivity
Nutlin-2 is a potent and selective p53-MDM2 binding inhibitor.
Smiles
C(=O)(N1[C@H]([C@H](N=C1C2=C(OCC)C=C(OC)C=C2)C3=CC=C(Br)C=C3)C4=CC=C(Br)C=C4)N5CCN(CCO)CC5
Molecular Formula
C31H34Br2N4O4
Molecular Weight
686.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

cis-[4,5-Bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CAS Number548472-76-0
PubChem CID17754046
IUPAC Name[(4R,5S)-4,5-bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
Molecular FormulaC31H34Br2N4O4
Molecular Weight686.4
XLogP4.9
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity872
SMILES
CCOC1=C(C=CC(=C1)OC)C2=N[C@@H]([C@@H](N2C(=O)N3CCN(CC3)CCO)C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br
InChI
InChI=1S/C31H34Br2N4O4/c1-3-41-27-20-25(40-2)12-13-26(27)30-34-28(21-4-8-23(32)9-5-21)29(22-6-10-24(33)11-7-22)37(30)31(39)36-16-14-35(15-17-36)18-19-38/h4-13,20,28-29,38H,3,14-19H2,1-2H3/t28-,29+/m1/s1
InChIKey
PVRYEWOXWGDQHA-WDYNHAJCSA-N
Chemical Structure
2D Structure
2D structure of cis-[4,5-Bis(4-bromophenyl)-2-(2-ethoxy-4-methoxyphenyl)-4,5-dihydroimidazol-1-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CAS: 548472-76-0
CID: 17754046
Formula: C31H34Br2N4O4
MW: 686.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight686.4
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass686.09263
Monoisotopic Mass684.09468
Topological Polar Surface Area77.8 Ų
Heavy Atom Count41
Formal Charge0
Complexity872
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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