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CPI-203

CAT: 0013-GTR19162855-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162855-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CPI-203 is a potent BET bromodomain inhibitor with IC50 of 37 nM for BRD4.
CAS Number
202591-23-9
Purity
>98% (HPLC)
Solubility
DMSO: 200 mM
Smiles
CC1=C (C) C2=C (S1) N1C (C) =NN=C1C (CC (N) =O) N=C2C1=CC=C (Cl) C=C1
Molecular Formula
C19H18ClN5OS
Molecular Weight
399.9
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamide
CAS Number202591-23-9
PubChem CID19704953
IUPAC Name2-[7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide
Molecular FormulaC19H18ClN5OS
Molecular Weight399.9
XLogP2.9
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity611
SMILES
CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)N)C4=CC=C(C=C4)Cl)C
InChI
InChI=1S/C19H18ClN5OS/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)22-14(8-15(21)26)18-24-23-11(3)25(18)19/h4-7,14H,8H2,1-3H3,(H2,21,26)
InChIKey
QECMENZMDBOLDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamide
CAS: 202591-23-9
CID: 19704953
Formula: C19H18ClN5OS
MW: 399.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.9
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass399.0920591
Monoisotopic Mass399.0920591
Topological Polar Surface Area114 Ų
Heavy Atom Count27
Formal Charge0
Complexity611
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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