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PROTAC MDM2 Degrader-2 10mg

CAT: 0628-A18890-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A18890-10Size:10 mg
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CAS Number
2249944-99-6

Chemical Information

PROTAC MDM2 Degrader-2
CAS Number2249944-99-6
PubChem CID138911384
IUPAC Name2-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]-N-[2-[2-[2-[[2-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]-2-oxopiperazin-1-yl]acetyl]amino]ethoxy]ethoxy]ethyl]acetamide
Molecular FormulaC70H76Cl4N10O12
Molecular Weight1391.2
XLogP8.9
Topological Polar Surface Area226
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count25
Heavy Atom Count96
Formal Charge0
Complexity2460
SMILES
CC(C)OC1=C(C=CC(=C1)OC)C2=N[C@@H]([C@@H](N2C(=O)N3CCN(C(=O)C3)CC(=O)NCCOCCOCCNC(=O)CN4CCN(CC4=O)C(=O)N5[C@H]([C@H](N=C5C6=C(C=C(C=C6)OC)OC(C)C)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl)C9=CC=C(C=C9)Cl)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C70H76Cl4N10O12/c1-43(2)95-57-37-53(91-5)23-25-55(57)67-77-63(45-7-15-49(71)16-8-45)65(47-11-19-51(73)20-12-47)83(67)69(89)81-31-29-79(61(87)41-81)39-59(85)75-27-33-93-35-36-94-34-28-76-60(86)40-80-30-32-82(42-62(80)88)70(90)84-66(48-13-21-52(74)22-14-48)64(46-9-17-50(72)18-10-46)78-68(84)56-26-24-54(92-6)38-58(56)96-44(3)4/h7-26,37-38,43-44,63-66H,27-36,39-42H2,1-6H3,(H,75,85)(H,76,86)/t63-,64-,65+,66+/m1/s1
InChIKey
WZLSSHVSGKCEKQ-AKOOKZATSA-N
Chemical Structure
2D Structure
2D structure of PROTAC MDM2 Degrader-2
CAS: 2249944-99-6
CID: 138911384
Formula: C70H76Cl4N10O12
MW: 1391.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1391.2
XLogP38.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count25
Exact Mass1390.436879
Monoisotopic Mass1388.439829
Topological Polar Surface Area226 Ų
Heavy Atom Count96
Formal Charge0
Complexity2460
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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