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Chemical structure of cis-INCB3344

GC71584

cis-INCB3344

Also known as N-[2-[[(3S,4S)-1-[4-(1,3-benzodioxol-5-yl)-4-hydroxycyclohexyl]-4-ethoxypyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

cis-INCB3344 is the isomer of INCB3344 , and can be used as an experimental control

ChemicalCAS1285539-85-6MW577.59FormulaC29H34F3N3O6
CAS number
1285539-85-6
Molecular weight
577.59
Formula
C29H34F3N3O6
Solubility
DMSO ： 100 mg/mL (173·13 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
MZEOSVPWMSEFPW-XYCDVDSTSA-N
Catalogue number
GC71584
Brand
GLPBIO
Computed properties PubChem CID 10008367 · XLogP 3.3 · TPSA 109 Ų · H-bond donors 3
XLogP
3.3
TPSA
109 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
41

SMILES CCO[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)C3CCC(CC3)(C4=CC5=C(C=C4)OCO5)O

Computed descriptors from PubChem (CID 10008367), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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