MK2-IN-3

CAT: 0127-BUP08272-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08272-05Size:100 mg

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CAS Number

724711-21-1

Synonyms

MK2 Inhibitor III

Purity

=98%

Smiles

O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1

Chemical Information

2-(2-Quinolin-3-ylpyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one

CAS Number	724711-21-1
PubChem CID	10389239
IUPAC Name	2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
Molecular Formula	C21H16N4O
Molecular Weight	340.4
XLogP	2.6
Topological Polar Surface Area	70.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	26
Formal Charge	0
Complexity	526

SMILES

C1CNC(=O)C2=C1NC(=C2)C3=CC(=NC=C3)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)

InChIKey

OWFLADWRSCINST-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 724711-21-1

CID: 10389239

Formula: C21H16N4O

MW: 340.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.4
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	340.13241115
Monoisotopic Mass	340.13241115
Topological Polar Surface Area	70.7 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	526
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP10142-01	MK2-IN-1 hydrochloride
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
PC7820FJ-01	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
PC1007482-01	3,3,3-Trifluoropropanehydrazide
PC4452-01	3,3,3-Trifluoropropylmethyldimethoxysilane
PC4603-01	3,3,3-Trifluoropropylamine
OR1043029-01	3,3',3''-Nitrilotripropanamide
OR89892-01	3,3',3''-Nitrilotripropanenitrile
PC901625	3,3,3-Trifluoropropanamide
PC450524-01	3,3,3-Trifluoropropoxytriethylsilane