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Chemical structure of iBRD4-BD1 diTFA

GC71159

iBRD4-BD1 diTFA

Also known as 2-(2-methyl-5-propan-2-ylphenoxy)-4-[3-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]imidazol-4-yl]pyrimidine;bis(2,2,2-trifluoroacetic acid)

iBRD4-BD1 diTFA is selective BRD4 bromodomain inhibitor· iBRD4-BD1 diTFA has inhibition activity for BRD4 bromodomain with an IC50 value of 12 nM

ChemicalCAS2839318-20-4MW749.62FormulaC33H32F9N5O5
CAS number
2839318-20-4
Molecular weight
749.62
Formula
C33H32F9N5O5
Solubility
DMSO ： 100 mg/mL (133·40 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
GUUBIJTYNCEMRN-UHFFFAOYSA-N
Catalogue number
GC71159
Brand
GLPBIO
Computed properties PubChem CID 169494549 · TPSA 139 Ų · H-bond donors 3 · H-bond acceptors 18
TPSA
139 Ų
H-bond donors
3
H-bond acceptors
18
Rotatable bonds
6
Heavy atoms
52

SMILES CC1=C(C=C(C=C1)C(C)C)OC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)C(F)(F)F.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 169494549), 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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Pricing
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Documents
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