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DMT1 blocker 1

CAT: 0013-GTR19206029-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19206029-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DMT1 blocker 1
CAS Number
1354790-56-9
Product Name Alternative
DMT1, DMT1 blocker 1, DMT-1 blocker 1
Field of Research
Pharmacology & Drug Discovery
Purity
99.73% (May vary between batches)
Solubility
DMSO:100 mg/mL (339.78 mM) ;10% DMSO+40% PEG300+5% Tween-80+45% Saline:1 mg/mL (3.4 mM)
Smiles
Cc1nn (c (O) c1C (=O) Nc1ccccc1) -c1ccccn1
Molecular Formula
C16H14N4O2
Molecular Weight
294.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DMT1 blocker 1
CAS Number1354790-56-9
PubChem CID25098135
IUPAC Name5-methyl-3-oxo-N-phenyl-2-pyridin-2-yl-1H-pyrazole-4-carboxamide
Molecular FormulaC16H14N4O2
Molecular Weight294.31
XLogP2.2
Topological Polar Surface Area74.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity483
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=N2)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C16H14N4O2/c1-11-14(15(21)18-12-7-3-2-4-8-12)16(22)20(19-11)13-9-5-6-10-17-13/h2-10,19H,1H3,(H,18,21)
InChIKey
QJEBTCLOCMTSJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DMT1 blocker 1
CAS: 1354790-56-9
CID: 25098135
Formula: C16H14N4O2
MW: 294.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.31
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass294.11167570
Monoisotopic Mass294.11167570
Topological Polar Surface Area74.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity483
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

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