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CM-4620

CAT: 0926-NTC24067-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-NTC24067-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1713240-67-5
MDL Number
MFCD30489478
Smiles
CC1=C (C (=CC=C1) F) C (=O) NC2=NC=C (N=C2) C3=CC4=C (C=C3Cl) OC (O4) (F) F
Molecular Formula
C19H11ClF3N3O3
Molecular Weight
421.76 g/mol
Controlled
No

Chemical Information

Zegocractin

CM4620 (Zegocractin), is under investigation in multiple clinical trials, including NCT04195347 (pancreatitis due to asparaginase), NCT03709342 (PK/PD study in acute pancreatitis), NCT03401190 and NCT04681066 (pancreatitis and SIRS), and NCT04661540 (critical COVID-19 pneumonia).

CAS Number1713240-67-5
PubChem CID122507647
IUPAC NameN-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluoro-6-methylbenzamide
Molecular FormulaC19H11ClF3N3O3
Molecular Weight421.8
XLogP4.3
Topological Polar Surface Area73.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity616
SMILES
CC1=C(C(=CC=C1)F)C(=O)NC2=NC=C(N=C2)C3=CC4=C(C=C3Cl)OC(O4)(F)F
InChI
InChI=1S/C19H11ClF3N3O3/c1-9-3-2-4-12(21)17(9)18(27)26-16-8-24-13(7-25-16)10-5-14-15(6-11(10)20)29-19(22,23)28-14/h2-8H,1H3,(H,25,26,27)
InChIKey
QQMKTHUGOQDEIL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zegocractin
CAS: 1713240-67-5
CID: 122507647
Formula: C19H11ClF3N3O3
MW: 421.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.8
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass421.0441034
Monoisotopic Mass421.0441034
Topological Polar Surface Area73.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity616
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

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Alternative Products

CatalogName
MBS3843907-01CM-4620
C12253-10mM/1mLZegocractin (CM 4620)
A19452-100CM-4620 100mg
A19452-50CM-4620 50mg
A19452-10CM-4620 10mg
A19452-5CM-4620 5mg
A19452-25Zegocractin (CM-4620) 25mg
A19452-1Zegocractin (CM-4620) 1mg
A19452-10mM-DZegocractin (CM-4620) 10mM * 1mL in DMSO
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