Products for Research Use Only

Fmoc-D-Phe (4-CF3) -OH

CAT: 0804-HY-W013123-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W013123-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Fmoc-D-Phe (4-CF3) -OH is Phenylalanine derivative. Fmoc-D-Phe (4-CF3) -OH can be used for the research of peptide inhibitors of protein-protein interactions[1].
CAS Number
238742-88-6
UNSPSC
12352209
Hazard Statement
H302, H315, H319, H335
Target
Amino Acid Derivatives
Type
Peptides
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/fmoc-d-phe-4-cf3-oh.html
Purity
99.09
Solubility
DMSO : 116.67 mg/mL (ultrasonic)
Smiles
O=C(O)[C@@H](CC1=CC=C(C(F)(F)F)C=C1)NC(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O
Molecular Formula
C25H20F3NO4
Molecular Weight
455.43
Precautions
H302, H315, H319, H335
References & Citations
[1]Touti F, et al. In-solution enrichment identifies peptide inhibitors of protein-protein interactions. Nat Chem Biol. 2019 Apr;15 (4) :410-418.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Fmoc-D-Phe(4-CF3)-OH

See also: Fmoc-D-4-Trifluoromethylphenylalanine (annotation moved to).

CAS Number238742-88-6
PubChem CID2777608
IUPAC Name(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid
Molecular FormulaC25H20F3NO4
Molecular Weight455.4
XLogP5.5
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity670
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CC4=CC=C(C=C4)C(F)(F)F)C(=O)O
InChI
InChI=1S/C25H20F3NO4/c26-25(27,28)16-11-9-15(10-12-16)13-22(23(30)31)29-24(32)33-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,29,32)(H,30,31)/t22-/m1/s1
InChIKey
YMEGJWTUWMVZPD-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-D-Phe(4-CF3)-OH
CAS: 238742-88-6
CID: 2777608
Formula: C25H20F3NO4
MW: 455.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight455.4
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass455.13444261
Monoisotopic Mass455.13444261
Topological Polar Surface Area75.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity670
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes