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L-803,087 trifluoroacetate

CAT: 0607-B6904-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6904-10Size:10 mg
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Description
somatostatin sst4 receptor agonist
CAS Number
217480-26-7
Product Name Alternative
2,2,2-trifluoroacetic acid compound with (S,Z)-4-(5,7-difluoro-2-phenyl-1H-indol-3-yl)-N-(5-guanidino-1-methoxy-1-oxopentan-2-yl)butanimidic acid (1:1)
Field of Research
GPCR G protein Somatostatin Receptor
Purity
0.98
Form
White solid
Solubility
<59.96mg/ml in DMSO; <59.96mg/ml in ethanol
Smiles
COC([C@](/N=C(O)/CCCC(C1=C2C(F)=CC(F)=C1)=C(N2)C3=CC=CC=C3)([H])CCCNC(N)=N)=O.FC(F)(F)C(O)=O
Molecular Formula
C25H29F2N5O3·CF3CO2H
Molecular Weight
599.56
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

L-803,087

structure in first source

CAS Number217480-26-7
PubChem CID5311374
IUPAC Namemethyl (2S)-5-(diaminomethylideneamino)-2-[4-(5,7-difluoro-2-phenyl-1H-indol-3-yl)butanoylamino]pentanoate
Molecular FormulaC25H29F2N5O3
Molecular Weight485.5
XLogP2.9
Topological Polar Surface Area136
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count35
Formal Charge0
Complexity730
SMILES
COC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCC1=C(NC2=C1C=C(C=C2F)F)C3=CC=CC=C3
InChI
InChI=1S/C25H29F2N5O3/c1-35-24(34)20(10-6-12-30-25(28)29)31-21(33)11-5-9-17-18-13-16(26)14-19(27)23(18)32-22(17)15-7-3-2-4-8-15/h2-4,7-8,13-14,20,32H,5-6,9-12H2,1H3,(H,31,33)(H4,28,29,30)/t20-/m0/s1
InChIKey
OPNMQSFIGUSHDH-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of L-803,087
CAS: 217480-26-7
CID: 5311374
Formula: C25H29F2N5O3
MW: 485.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.5
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass485.22384613
Monoisotopic Mass485.22384613
Topological Polar Surface Area136 Ų
Heavy Atom Count35
Formal Charge0
Complexity730
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

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