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CP-31398 dihydrochloride

CAT: 0013-GTR19173802-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19173802-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CP-31398 dihydrochloride
CAS Number
1217195-61-3
Product Name Alternative
MDM-2/p53, Inhibitor, inhibit, p53, CP 31398, CP 31398 dihydrochloride, CP 31398 Dihydrochloride, CP-31398 Dihydrochloride, CP31398, CP-31398, CP31398 Dihydrochloride, CP31398 dihydrochloride
Field of Research
Cell Biology
Purity
98.23% (May vary between batches)
Solubility
DMSO:6 mg/mL (13.78 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.3 mM)
Smiles
Cl.Cl.COc1ccc (\C=C\c2nc (NCCCN (C) C) c3ccccc3n2) cc1
Molecular Formula
C22H28Cl2N4O
Molecular Weight
435.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CP 31398 Dihydrochloride
CAS Number1217195-61-3
PubChem CID56972205
IUPAC NameN-[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
Molecular FormulaC22H28Cl2N4O
Molecular Weight435.4
Topological Polar Surface Area50.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count29
Formal Charge0
Complexity448
SMILES
CN(C)CCCNC1=NC(=NC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)OC.Cl.Cl
InChI
InChI=1S/C22H26N4O.2ClH/c1-26(2)16-6-15-23-22-19-7-4-5-8-20(19)24-21(25-22)14-11-17-9-12-18(27-3)13-10-17;;/h4-5,7-14H,6,15-16H2,1-3H3,(H,23,24,25);2*1H/b14-11+;;
InChIKey
WWIFDJIOGCGSBS-IVKCLRODSA-N
Chemical Structure
2D Structure
2D structure of CP 31398 Dihydrochloride
CAS: 1217195-61-3
CID: 56972205
Formula: C22H28Cl2N4O
MW: 435.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass434.1640169
Monoisotopic Mass434.1640169
Topological Polar Surface Area50.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity448
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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