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SP100030

CAT: 1106-ENZ-CHM447-0025Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1106-ENZ-CHM447-0025Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
154563-54-9
Product Name Alternative
N-[3,5-Bis (trifluoromethyl) phenyl]-2-chloro-4- (trifluoromethyl) pyrimidine-5-carboxamide
Certification
RUO
Type
Inhibitor
Stability
As indicated on product label or CoA when stored as recommended.
Purity
≥98% (HPLC)
Solubility
Soluble in DMSO (>25 mg/ml) .
Molecular Formula
C 14 H 5 ClF 9 N 3 O
Molecular Weight
437.65
Shipping Conditions
Ambient Temperature
Storage Conditions
-20°C
Appearance
Off-white solid.
Identity
Determined by NMR.

Chemical Information

N-(3,5-bis(trifluoromethyl)phenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide

transcription factor inhibitor specific to T-cells

CAS Number154563-54-9
PubChem CID9910975
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide
Molecular FormulaC14H5ClF9N3O
Molecular Weight437.65
XLogP4.7
Topological Polar Surface Area54.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count2
Heavy Atom Count28
Formal Charge0
Complexity544
SMILES
C1=C(C=C(C=C1C(F)(F)F)NC(=O)C2=CN=C(N=C2C(F)(F)F)Cl)C(F)(F)F
InChI
InChI=1S/C14H5ClF9N3O/c15-11-25-4-8(9(27-11)14(22,23)24)10(28)26-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,26,28)
InChIKey
GHMKQBWHPQMXSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3,5-bis(trifluoromethyl)phenyl)-2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxamide
CAS: 154563-54-9
CID: 9910975
Formula: C14H5ClF9N3O
MW: 437.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.65
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count2
Exact Mass436.9977429
Monoisotopic Mass436.9977429
Topological Polar Surface Area54.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity544
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

Alternative Products

CatalogName
GTR19199621-01SP100030
T89990-01SP100030 analogue 1

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