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FE-200041

CAT: 0013-GTR19210123-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210123-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FE-200041 is a potent and selective kappa opioid receptor (KOR) agonist. It is a valuable research tool for studying KOR pharmacology in vitro and has been used in vivo to investigate pain, addiction, and mood-related disorders in preclinical models.
CAS Number
212710-26-4
Smiles
[C@@H] (CC1=CC=CC=C1) (C (N[C@@H] (C (N[C@H] (CCCNC (=N) N) C (N) =O) =O) CCCC) =O) NC ([C@@H] (CC2=CC=CC=C2) N) =O
Molecular Formula
C30H44N8O4
Molecular Weight
580.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

FE-200041
CAS Number212710-26-4
PubChem CID9851233
IUPAC Name(2R)-N-[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
Molecular FormulaC30H44N8O4
Molecular Weight580.7
XLogP1.3
Topological Polar Surface Area221
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count18
Heavy Atom Count42
Formal Charge0
Complexity883
SMILES
CCCC[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC2=CC=CC=C2)N
InChI
InChI=1S/C30H44N8O4/c1-2-3-15-24(28(41)36-23(26(32)39)16-10-17-35-30(33)34)37-29(42)25(19-21-13-8-5-9-14-21)38-27(40)22(31)18-20-11-6-4-7-12-20/h4-9,11-14,22-25H,2-3,10,15-19,31H2,1H3,(H2,32,39)(H,36,41)(H,37,42)(H,38,40)(H4,33,34,35)/t22-,23-,24-,25-/m1/s1
InChIKey
RUOXNQGHBFJAES-ZGFBMJKBSA-N
Chemical Structure
2D Structure
2D structure of FE-200041
CAS: 212710-26-4
CID: 9851233
Formula: C30H44N8O4
MW: 580.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight580.7
XLogP31.3
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count6
Rotatable Bond Count18
Exact Mass580.34855191
Monoisotopic Mass580.34855191
Topological Polar Surface Area221 Ų
Heavy Atom Count42
Formal Charge0
Complexity883
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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