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MF 13

CAT: 0013-GTR19193569-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193569-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MF 13 is a small molecule compound that induces programmed cell death in tumor cells. It is utilized in cancer research to study apoptotic pathways and has demonstrated activity in both cellular assays and animal models of oncology.
CAS Number
38232-20-1
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
Storage Conditions
-20°C
Notes
For research use only.

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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