MCMQ069

CAT: 0931-T89227-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T89227-01Size:10 mg

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

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CAS Number

3025257-02-4

Bioactivity

MCMQ069 is an orally effective antimalarial agent with the potential for single-dose cure and/or 28-day chemoprophylaxis.

Smiles

O=C(N1CCN2C(=NC(C3=CC(F)=C(F)C(F)=C3)=C2NC4=CC=C(F)C=C4)C1(C)C)CN

Molecular Formula

C22H21F4N5O

Molecular Weight

447.43

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

2-Amino-1-[3-(4-fluoroanilino)-8,8-dimethyl-2-(3,4,5-trifluorophenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone

CAS Number	3025257-02-4
PubChem CID	170709988
IUPAC Name	2-amino-1-[3-(4-fluoroanilino)-8,8-dimethyl-2-(3,4,5-trifluorophenyl)-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone
Molecular Formula	C22H21F4N5O
Molecular Weight	447.4
XLogP	2.7
Topological Polar Surface Area	76.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	32
Formal Charge	0
Complexity	665

SMILES

CC1(C2=NC(=C(N2CCN1C(=O)CN)NC3=CC=C(C=C3)F)C4=CC(=C(C(=C4)F)F)F)C

InChI

InChI=1S/C22H21F4N5O/c1-22(2)21-29-19(12-9-15(24)18(26)16(25)10-12)20(28-14-5-3-13(23)4-6-14)30(21)7-8-31(22)17(32)11-27/h3-6,9-10,28H,7-8,11,27H2,1-2H3

InChIKey

ZYNUUHMINGBXPO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3025257-02-4

CID: 170709988

Formula: C22H21F4N5O

MW: 447.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	447.4
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	447.16822296
Monoisotopic Mass	447.16822296
Topological Polar Surface Area	76.2 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	665
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

Alternative Products

Catalog	Name
GTR19238119-01	MCMQ069

MCMQ069

Chemical Information

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