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PTC-028

CAT: 1568-C13570-03Size: 25 mgDry Ice: YesHazardous: No
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CAT#:1568-C13570-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1782970-28-8
SKU
C13570-5mg
Target
BMI-1
Applications
Cell Cycle
Smiles
CC1=NC2=CC (=C (C=C2N1C3=NC (=CN=C3) NC4=CC=C (C=C4) C (F) (F) F) F) F
Molecular Formula
C19H12F5N5
Additionnal Information
PTC-028 is an orally bioavailable compound that decreases BMI-1 levels by posttranslational modification.
Storage Conditions
2 years -80 in solvent

Chemical Information

6-(5,6-Difluoro-2-methyl-1H-benzimidazol-1-yl)-N-(4-(trifluoromethyl)phenyl)-2-pyrazinamine
CAS Number1782970-28-8
PubChem CID73427235
IUPAC Name6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
Molecular FormulaC19H12F5N5
Molecular Weight405.3
XLogP4.7
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity556
SMILES
CC1=NC2=CC(=C(C=C2N1C3=NC(=CN=C3)NC4=CC=C(C=C4)C(F)(F)F)F)F
InChI
InChI=1S/C19H12F5N5/c1-10-26-15-6-13(20)14(21)7-16(15)29(10)18-9-25-8-17(28-18)27-12-4-2-11(3-5-12)19(22,23)24/h2-9H,1H3,(H,27,28)
InChIKey
JEZGPBWIZWPDHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(5,6-Difluoro-2-methyl-1H-benzimidazol-1-yl)-N-(4-(trifluoromethyl)phenyl)-2-pyrazinamine
CAS: 1782970-28-8
CID: 73427235
Formula: C19H12F5N5
MW: 405.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight405.3
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass405.10128621
Monoisotopic Mass405.10128621
Topological Polar Surface Area55.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity556
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