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Chemical structure of BRD4 ligand 6 TFA

GC73958

BRD4 ligand 6 TFA

Also known as N-(3-aminopropyl)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide;2,2,2-trifluoroacetic acid

BRD4 ligand 6 TFA is the TFA salt form of BRD4 ligand 6

ChemicalCAS2763548-61-2MW571.01FormulaC24H26ClF3N6O3S
CAS number
2763548-61-2
Molecular weight
571.01
Formula
C24H26ClF3N6O3S
InChIKey
CNHYPIZYMOJZTH-LMOVPXPDSA-N
Catalogue number
GC73958
Brand
GLPBIO
Computed properties PubChem CID 172419448 · TPSA 164 Ų · H-bond donors 3 · H-bond acceptors 11
TPSA
164 Ų
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
6
Heavy atoms
38

SMILES CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)NCCCN)C4=CC=C(C=C4)Cl)C.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 172419448), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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