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MF 13

CAT: 0931-T33372-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T33372-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38232-20-1
Target
Others
Related Pathways
Others
Bioactivity
MF 13 exhibits tumor apoptosis activity.
Smiles
N(CCCl)(CCCl)C1=CC(C[C@@H](C(N[C@@H](CCC)C(O)=O)=O)NC(=O)[C@@H]2CCCN2)=CC=C1
Molecular Formula
C23H34Cl2N4O4
Molecular Weight
501.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MF 13
CAS Number38232-20-1
PubChem CID162295
IUPAC Name(2S)-2-[[(2S)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid
Molecular FormulaC23H34Cl2N4O4
Molecular Weight501.4
XLogP0.9
Topological Polar Surface Area111
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Heavy Atom Count33
Formal Charge0
Complexity634
SMILES
CCC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC(=CC=C1)N(CCCl)CCCl)NC(=O)[C@@H]2CCCN2
InChI
InChI=1S/C23H34Cl2N4O4/c1-2-5-19(23(32)33)27-22(31)20(28-21(30)18-8-4-11-26-18)15-16-6-3-7-17(14-16)29(12-9-24)13-10-25/h3,6-7,14,18-20,26H,2,4-5,8-13,15H2,1H3,(H,27,31)(H,28,30)(H,32,33)/t18-,19-,20-/m0/s1
InChIKey
CVOHDTBZTILHDL-UFYCRDLUSA-N
Chemical Structure
2D Structure
2D structure of MF 13
CAS: 38232-20-1
CID: 162295
Formula: C23H34Cl2N4O4
MW: 501.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.4
XLogP30.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count14
Exact Mass500.1957110
Monoisotopic Mass500.1957110
Topological Polar Surface Area111 Ų
Heavy Atom Count33
Formal Charge0
Complexity634
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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