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NBI-27914 hydrochloride

CAT: 0931-T23057Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T23057Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1215766-76-9
Target
Others, CRFR
Related Pathways
GPCR/G Protein, Others
Bioactivity
Corticotropin-releasing factor1 (CRF1) receptor antagonist
Smiles
Cl.CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl
Molecular Formula
C18H21Cl5N4
Molecular Weight
470.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Chloro-4-(N-(cyclopropyl)methyl-N-propylamino)-2-methyl-6-(2,4,6-trichlorophenyl)aminopyridine
CAS Number1215766-76-9
PubChem CID45073446
IUPAC Name5-chloro-4-N-(cyclopropylmethyl)-2-methyl-4-N-propyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine;hydrochloride
Molecular FormulaC18H21Cl5N4
Molecular Weight470.6
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity441
SMILES
CCCN(CC1CC1)C2=NC(=NC(=C2Cl)NC3=C(C=C(C=C3Cl)Cl)Cl)C.Cl
InChI
InChI=1S/C18H20Cl4N4.ClH/c1-3-6-26(9-11-4-5-11)18-15(22)17(23-10(2)24-18)25-16-13(20)7-12(19)8-14(16)21;/h7-8,11H,3-6,9H2,1-2H3,(H,23,24,25);1H
InChIKey
CPMGENCTAWBLNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-4-(N-(cyclopropyl)methyl-N-propylamino)-2-methyl-6-(2,4,6-trichlorophenyl)aminopyridine
CAS: 1215766-76-9
CID: 45073446
Formula: C18H21Cl5N4
MW: 470.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass470.017935
Monoisotopic Mass468.020885
Topological Polar Surface Area41.1 Ų
Heavy Atom Count27
Formal Charge0
Complexity441
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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