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HC 067047

CAT: 0607-B7588-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7588-50Size:50 mg
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Description
TRPV4 antagonist
CAS Number
883031-03-6
Product Name Alternative
2-methyl-1-(3-morpholinopropyl)-5-phenyl-N-(3-(trifluoromethyl)phenyl)-1H-pyrrole-3-carboxamide
Field of Research
Membrane Transporter Ion Channel TRP Channel
Purity
0.9985
Form
A crystalline solid
Solubility
≥47.2 mg/mL in DMSO; insoluble in H2O; ≥16.83 mg/mL in EtOH with ultrasonic
Smiles
FC(F)(C1=CC(NC(C2=C(C)N(C(C3=CC=CC=C3)=C2)CCCN4CCOCC4)=O)=CC=C1)F
Molecular Formula
C26H28F3N3O2
Molecular Weight
471.51
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

HC067047
CAS Number883031-03-6
PubChem CID2742550
IUPAC Name2-methyl-1-(3-morpholin-4-ylpropyl)-5-phenyl-N-[3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
Molecular FormulaC26H28F3N3O2
Molecular Weight471.5
XLogP4.4
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity650
SMILES
CC1=C(C=C(N1CCCN2CCOCC2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C26H28F3N3O2/c1-19-23(25(33)30-22-10-5-9-21(17-22)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33)
InChIKey
NCZYSQOTAYFTNM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of HC067047
CAS: 883031-03-6
CID: 2742550
Formula: C26H28F3N3O2
MW: 471.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.5
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass471.21336163
Monoisotopic Mass471.21336163
Topological Polar Surface Area46.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity650
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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