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DMP 696

CAT: 0013-GTR19203411-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203411-01Size:25 mg
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Description
DMP 696 is a selective CRF1 receptor antagonist used in research for anxiety and depression. It is employed in both in vitro binding assays and in vivo behavioral studies to investigate stress-related neuropsychiatric disorders.
CAS Number
202578-52-7
Field of Research
Pharmacology & Drug Discovery
Smiles
COCC (COC) Nc1nc (C) nc2c (c (C) nn12) -c1ccc (Cl) cc1Cl
Molecular Formula
C18H21Cl2N5O2
Molecular Weight
410.3
Storage Conditions
-20°C
Notes
For research use only.

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 Number202578-52-7
PubChem CID9909468
IUPAC Name8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
Molecular FormulaC18H21Cl2N5O2
Molecular Weight410.3
XLogP3.9
Topological Polar Surface Area73.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity471
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
2D structure of 8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CAS: 202578-52-7
CID: 9909468
Formula: C18H21Cl2N5O2
MW: 410.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight410.3
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass409.1072303
Monoisotopic Mass409.1072303
Topological Polar Surface Area73.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity471
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes