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MK-4256

CAT: 0931-T16095-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T16095-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1104599-69-0
Target
Others, Somatostatin
Related Pathways
Others, GPCR/G Protein
Bioactivity
MK-4256 is an effective and selective SSTR3 antagonist (IC50s: 0.66 nM and 0.36 nM in human and mouse receptor binding assays, respectively) .
Smiles
Cc1nc(no1)[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1ncc([nH]1)-c1ccc(F)cc1)c1cnn(C)c1
Molecular Formula
C27H23FN8O
Molecular Weight
494.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MK-4256

a somatostatin receptor 3 antagonist; structure in first source

CAS Number1104599-69-0
PubChem CID56927659
IUPAC Name3-[(1R,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]-5-methyl-1,2,4-oxadiazole
Molecular FormulaC27H23FN8O
Molecular Weight494.5
XLogP3.1
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity815
SMILES
CC1=NC(=NO1)[C@]2(C3=C(C[C@@H](N2)C4=NC=C(N4)C5=CC=C(C=C5)F)C6=CC=CC=C6N3)C7=CN(N=C7)C
InChI
InChI=1S/C27H23FN8O/c1-15-31-26(35-37-15)27(17-12-30-36(2)14-17)24-20(19-5-3-4-6-21(19)32-24)11-22(34-27)25-29-13-23(33-25)16-7-9-18(28)10-8-16/h3-10,12-14,22,32,34H,11H2,1-2H3,(H,29,33)/t22-,27-/m1/s1
InChIKey
NTIFDLOQPKMIJK-AJTFRIOCSA-N
Chemical Structure
2D Structure
2D structure of MK-4256
CAS: 1104599-69-0
CID: 56927659
Formula: C27H23FN8O
MW: 494.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.5
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass494.19788555
Monoisotopic Mass494.19788555
Topological Polar Surface Area113 Ų
Heavy Atom Count37
Formal Charge0
Complexity815
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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