Teijin compound 1 5mg

CAT: 0628-A13380-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A13380-5Size:5 mg

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CAS Number

226226-39-7

Chemical Information

CCR2 antagonist 4

CAS Number	226226-39-7
PubChem CID	44453327
IUPAC Name	N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Molecular Formula	C21H21ClF3N3O2
Molecular Weight	439.9
XLogP	3.8
Topological Polar Surface Area	61.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	30
Formal Charge	0
Complexity	597

SMILES

C1CN(C[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H21ClF3N3O2/c22-17-6-4-14(5-7-17)12-28-9-8-18(13-28)27-19(29)11-26-20(30)15-2-1-3-16(10-15)21(23,24)25/h1-7,10,18H,8-9,11-13H2,(H,26,30)(H,27,29)/t18-/m1/s1

InChIKey

BAOQJSULMWXFRK-GOSISDBHSA-N

Chemical Structure

2D Structure

CAS: 226226-39-7

CID: 44453327

Formula: C21H21ClF3N3O2

MW: 439.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	439.9
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	439.1274391
Monoisotopic Mass	439.1274391
Topological Polar Surface Area	61.4 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	597
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
B5468-50	Teijin compound 1
462447	Teijin Compound 1 HCl
ALX-550-516-M025	Compound A
A8197-5.1	Compound 56
C8444-50	Compound C108
C5824-10	GPR120 Compound A
B7337-5	Compound 401
XXC35825-01	Compound 3a
Fr16729-01	Compound Fr16729
PDK0296-01	Compound PDK0296

Teijin compound 1 5mg

Chemical Information

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