DMP 696

CAT: 0926-CIA57852-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-CIA57852-02Size:5 mg

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

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CAS Number

202578-52-7

MDL Number

MFCD06407903

Smiles

CC1=NN2C (=C1C3=C (C=C (C=C3) Cl) Cl) N=C (N=C2NC (COC) COC) C

Molecular Formula

C18H21Cl2N5O2

Molecular Weight

410.3 g/mol

Controlled

Chemical Information

8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

CAS Number	202578-52-7
PubChem CID	9909468
IUPAC Name	8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
Molecular Formula	C18H21Cl2N5O2
Molecular Weight	410.3
XLogP	3.9
Topological Polar Surface Area	73.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	27
Formal Charge	0
Complexity	471

SMILES

CC1=NN2C(=C1C3=C(C=C(C=C3)Cl)Cl)N=C(N=C2NC(COC)COC)C

InChI

InChI=1S/C18H21Cl2N5O2/c1-10-16(14-6-5-12(19)7-15(14)20)17-21-11(2)22-18(25(17)24-10)23-13(8-26-3)9-27-4/h5-7,13H,8-9H2,1-4H3,(H,21,22,23)

InChIKey

MDWRPTOUDPFXKK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 202578-52-7

CID: 9909468

Formula: C18H21Cl2N5O2

MW: 410.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	410.3
XLogP3	3.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	409.1072303
Monoisotopic Mass	409.1072303
Topological Polar Surface Area	73.6 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	471
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
IGA08199	CP-105,696
CRB1301297	Hydroxylated collagen alpha-1 (III) chain (696-707) Heavy
FF111422-01	Fmoc-Val-Cys (Psi (Dmp, H) pro) -OH
FF111419-01	Fmoc-Gly-Cys (Psi (Dmp, H) pro) -OH
FF111420-01	Fmoc-Leu-Cys (Psi (Dmp, H) pro) -OH
FF111421-01	Fmoc-Lys (Boc) -Cys (Psi (Dmp, H) pro) -OH
70R-31835	DMPK antibody
70R-3702	DMPK antibody
70R-49667	DMPK antibody
33R-9264	DMPK Blocking Peptide

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