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AZ5576

CAT: 0931-T60152-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T60152-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2751721-40-9
Target
Apoptosis, CDK
Related Pathways
Apoptosis, Cell Cycle/Checkpoint
Purity
>99.99%
Bioactivity
AZ5576, a potent and highly selective CDK9 inhibitor, can be used for research on Hematological Malignancy [1].
Smiles
COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1
Molecular Formula
C21H24FN3O3
Molecular Weight
385.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1S,3R)-3-Acetamido-N-(4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)cyclohexane-1-carboxamide
CAS Number2751721-40-9
PubChem CID53373586
IUPAC Namecis-(1S,3R)-3-acetamido-N-[4-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclohexane-1-carboxamide
Molecular FormulaC21H24FN3O3
Molecular Weight385.4
XLogP2.6
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity547
SMILES
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)NC2=NC=CC(=C2)C3=C(C=C(C=C3)F)OC
InChI
InChI=1S/C21H24FN3O3/c1-13(26)24-17-5-3-4-15(10-17)21(27)25-20-11-14(8-9-23-20)18-7-6-16(22)12-19(18)28-2/h6-9,11-12,15,17H,3-5,10H2,1-2H3,(H,24,26)(H,23,25,27)/t15-,17+/m0/s1
InChIKey
QNWXRLPZIFMTBK-DOTOQJQBSA-N
Chemical Structure
2D Structure
2D structure of (1S,3R)-3-Acetamido-N-(4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)cyclohexane-1-carboxamide
CAS: 2751721-40-9
CID: 53373586
Formula: C21H24FN3O3
MW: 385.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.4
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass385.18016980
Monoisotopic Mass385.18016980
Topological Polar Surface Area80.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity547
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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