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CDK7-IN-21

CAT: 0607-BA3844-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3844-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2766124-39-2
Form
A solid
Molecular Formula
C33H36FN9O2
Molecular Weight
609.70
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Cdk7-IN-21

Mocaciclib is a small molecule drug. The usage of the INN stem '-ciclib' in the name indicates that Mocaciclib is a cyclin dependant kinase inhibitor. Mocaciclib has a monoisotopic molecular weight of 609.3 Da.

CAS Number2766124-39-2
PubChem CID156358323
IUPAC Name2-fluoro-N-[1-[2-[[[2-[[(3R,4R)-3-hydroxypiperidin-4-yl]methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl]amino]methyl]phenyl]isoquinolin-6-yl]prop-2-enamide
Molecular FormulaC33H36FN9O2
Molecular Weight609.7
XLogP4.6
Topological Polar Surface Area141
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count45
Formal Charge0
Complexity1010
SMILES
CC(C)C1=C2N=C(N=C(N2N=C1)NCC3=CC=CC=C3C4=NC=CC5=C4C=CC(=C5)NC(=O)C(=C)F)NC[C@H]6CCNC[C@@H]6O
InChI
InChI=1S/C33H36FN9O2/c1-19(2)27-17-39-43-30(27)41-32(37-16-23-10-12-35-18-28(23)44)42-33(43)38-15-22-6-4-5-7-25(22)29-26-9-8-24(40-31(45)20(3)34)14-21(26)11-13-36-29/h4-9,11,13-14,17,19,23,28,35,44H,3,10,12,15-16,18H2,1-2H3,(H,40,45)(H2,37,38,41,42)/t23-,28+/m1/s1
InChIKey
PDKSTEKFCWNJFC-LXFBAYGMSA-N
Chemical Structure
2D Structure
2D structure of Cdk7-IN-21
CAS: 2766124-39-2
CID: 156358323
Formula: C33H36FN9O2
MW: 609.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.7
XLogP34.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass609.29759959
Monoisotopic Mass609.29759959
Topological Polar Surface Area141 Ų
Heavy Atom Count45
Formal Charge0
Complexity1010
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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