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Chemical structure of TMP780

GC62520

TMP780

Also known as 2-[2-[(R)-(3,5-dimethyl-1,2-oxazol-4-yl)-hydroxymethyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide

TMP780 is an inverse agonist of RORγt with an IC50 of 13 nM

ChemicalCAS1422053-03-9MW494.58FormulaC31H30N2O4
CAS number
1422053-03-9
Molecular weight
494.58
Formula
C31H30N2O4
Solubility
DMSO ： 220 mg/mL (444·82 mM; Need ultrasonic)
InChIKey
DIURRJOJDQOMFC-CONSDPRKSA-N
Catalogue number
GC62520
Brand
GLPBIO
Computed properties PubChem CID 145925629 · XLogP 5.6 · TPSA 88.5 Ų · H-bond donors 2
XLogP
5.6
TPSA
88.5 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
37

SMILES CC1=CC(=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)CC3=CC4=C(C=C3)OC(=C4)[C@@H](C5=C(ON=C5C)C)O)C

Computed descriptors from PubChem (CID 145925629), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Documents
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