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YM-1758735

CAT: 0013-GTR19210455-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210455-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
YM-1758735 is a small molecule antagonist suitable for research applications. It is utilized in both in vitro and in vivo studies to investigate receptor function and signaling pathways within pharmacological and biochemical research fields.
CAS Number
262294-30-4
Smiles
C[C@@H]1N (C2=CC (C (F) (F) F) =C (C#N) C=C2) C[C@@H] (C) N (C (NC3=C (F) C=C (F) C=C3) =O) C1
Molecular Formula
C21H19F5N4O
Molecular Weight
438.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2,4-difluorophenyl)-2,5-dimethylpiperazine-1-carboxamide
CAS Number262294-30-4
PubChem CID11178122
IUPAC Name(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2,4-difluorophenyl)-2,5-dimethylpiperazine-1-carboxamide
Molecular FormulaC21H19F5N4O
Molecular Weight438.4
XLogP4.4
Topological Polar Surface Area59.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count31
Formal Charge0
Complexity695
SMILES
C[C@@H]1CN([C@H](CN1C(=O)NC2=C(C=C(C=C2)F)F)C)C3=CC(=C(C=C3)C#N)C(F)(F)F
InChI
InChI=1S/C21H19F5N4O/c1-12-11-30(20(31)28-19-6-4-15(22)7-18(19)23)13(2)10-29(12)16-5-3-14(9-27)17(8-16)21(24,25)26/h3-8,12-13H,10-11H2,1-2H3,(H,28,31)/t12-,13+/m0/s1
InChIKey
WTZSNQXSDYHCRV-QWHCGFSZSA-N
Chemical Structure
2D Structure
2D structure of (2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2,4-difluorophenyl)-2,5-dimethylpiperazine-1-carboxamide
CAS: 262294-30-4
CID: 11178122
Formula: C21H19F5N4O
MW: 438.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.4
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass438.14790205
Monoisotopic Mass438.14790205
Topological Polar Surface Area59.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity695
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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