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C3TD879

CAT: 0931-T85987-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T85987-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2850259-33-3
Target
Others, Serine Protease
Related Pathways
Proteases/Proteasome, Others
Bioactivity
C3TD879 is an active molecule that can be used in life science related research. The CAS number of C3TD879 is 2850259-33-3.
Smiles
CC1=CC2=C(C=CN=C2N1)C3=C(C)C=C(NC([C@@H](CC(C)(C)C)N)=O)C=C3
Molecular Formula
C22H28N4O
Molecular Weight
364.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2R)-2-amino-4,4-dimethyl-N-[3-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide
CAS Number2850259-33-3
PubChem CID165404856
IUPAC Name(2R)-2-amino-4,4-dimethyl-N-[3-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide
Molecular FormulaC22H28N4O
Molecular Weight364.5
XLogP4.1
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity517
SMILES
CC1=CC2=C(C=CN=C2N1)C3=C(C=C(C=C3)NC(=O)[C@@H](CC(C)(C)C)N)C
InChI
InChI=1S/C22H28N4O/c1-13-10-15(26-21(27)19(23)12-22(3,4)5)6-7-16(13)17-8-9-24-20-18(17)11-14(2)25-20/h6-11,19H,12,23H2,1-5H3,(H,24,25)(H,26,27)/t19-/m1/s1
InChIKey
ODOJVROSIRINJT-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-amino-4,4-dimethyl-N-[3-methyl-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]pentanamide
CAS: 2850259-33-3
CID: 165404856
Formula: C22H28N4O
MW: 364.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.5
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass364.22631153
Monoisotopic Mass364.22631153
Topological Polar Surface Area83.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity517
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-162266-01C3TD879

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