Products for Research Use Only
RegisterLogin

CPI203

CAT: 0931-T2442-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T2442-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
202591-23-9
Target
Others, Epigenetic Reader Domain
Related Pathways
Others, Chromatin/Epigenetic
Purity
0.9977
Bioactivity
CPI203 (CPI 203) is an effective BET bromodomain inhibitor (IC50: 37 nM for BRD4) .
Smiles
CC=1C2=C(N3C(C(CC(N)=O)N=C2C4=CC=C(Cl)C=C4)=NN=C3C)SC1C
Molecular Formula
C19H18ClN5OS
Molecular Weight
399.9
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Related Products

CatalogName
T27072-01CPI703

Alternative Products

CatalogName
GTR19163205-01CPI203
BUP13055-01(S) -CPI203
574644CPI203-rac
TBI4048-5MGCPI203, BET bromodomain inhibitor

Popular Products