YM550

CAT: 0931-T69562-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T69562-01Size:25 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

262295-11-4

Target

Others

Related Pathways

Others

Bioactivity

YM550 is an antagonist.

Smiles

C[C@@H]1N(C2=CC(C(F)(F)F)=C(C#N)C=C2)C[C@@H](C)N(C(NC=3C=CC(C(F)(F)F)=NC3)=O)C1

Molecular Formula

C21H19F6N5O

Molecular Weight

471.4

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-[6-(trifluoromethyl)pyridin-3-yl]piperazine-1-carboxamide

CAS Number	262295-11-4
PubChem CID	11155655
IUPAC Name	(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-[6-(trifluoromethyl)-3-pyridinyl]piperazine-1-carboxamide
Molecular Formula	C21H19F6N5O
Molecular Weight	471.4
XLogP	4
Topological Polar Surface Area	72.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	2
Heavy Atom Count	33
Formal Charge	0
Complexity	750

SMILES

C[C@@H]1CN([C@H](CN1C(=O)NC2=CN=C(C=C2)C(F)(F)F)C)C3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)/t12-,13+/m0/s1

InChIKey

JKMJQRRLCJXPOK-QWHCGFSZSA-N

Chemical Structure

2D Structure

CAS: 262295-11-4

CID: 11155655

Formula: C21H19F6N5O

MW: 471.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	471.4
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	2
Exact Mass	471.14937922
Monoisotopic Mass	471.14937922
Topological Polar Surface Area	72.3 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	750
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5812108	YM550

YM550

Chemical Information

Alternative Products

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