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PHCCC (4Me)

CAT: 0931-T26267-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26267-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1259532-01-8
Target
GluR, Others
Related Pathways
Neuroscience, Others
Bioactivity
THCCC, a PHCCC analog, is a dual metabotropic glutamate receptor 2/3 negative/positive allosteric modulator.
Smiles
C(NC1=CC=C(C)C=C1)(=O)C23C(C2)C(=NO)C=4C(O3)=CC=CC4
Molecular Formula
C18H16N2O3
Molecular Weight
308.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PHCCC(4Me)
CAS Number1259532-01-8
PubChem CID49858117
IUPAC Name(7E)-7-hydroxyimino-N-(4-methylphenyl)-1,7a-dihydrocyclopropa[b]chromene-1a-carboxamide
Molecular FormulaC18H16N2O3
Molecular Weight308.3
XLogP2.9
Topological Polar Surface Area70.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity512
SMILES
CC1=CC=C(C=C1)NC(=O)C23CC2/C(=N\O)/C4=CC=CC=C4O3
InChI
InChI=1S/C18H16N2O3/c1-11-6-8-12(9-7-11)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)23-18/h2-9,14,22H,10H2,1H3,(H,19,21)/b20-16-
InChIKey
VKCTUZKPBYSTDW-SILNSSARSA-N
Chemical Structure
2D Structure
2D structure of PHCCC(4Me)
CAS: 1259532-01-8
CID: 49858117
Formula: C18H16N2O3
MW: 308.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight308.3
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass308.11609238
Monoisotopic Mass308.11609238
Topological Polar Surface Area70.9 Ų
Heavy Atom Count23
Formal Charge0
Complexity512
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes