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Chemical structure of MK-4256

GC31349

MK-4256

Also known as 3-[(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

MK-4256 is a potent and selective SSTR3 antagonist with IC50s of 0·66 nM and 0·36 nM in human and mouse receptor binding assays, respectively

ChemicalCAS1104599-69-0MW494.52FormulaC27H23FN8O
CAS number
1104599-69-0
Molecular weight
494.52
Formula
C27H23FN8O
Solubility
DMSO ： ≥ 100 mg/mL (202·22 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
NTIFDLOQPKMIJK-AJTFRIOCSA-N
Catalogue number
GC31349
Brand
GLPBIO
Computed properties PubChem CID 56927659 · XLogP 3.1 · TPSA 113 Ų · H-bond donors 3
XLogP
3.1
TPSA
113 Ų
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
37

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

Computed descriptors from PubChem (CID 56927659), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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