Products for Research Use Only
RegisterLogin

I-BRD9

CAT: 1568-C12986-02Size: 10 mM / 1 mLDry Ice: YesHazardous: No
Product image 1
1 / 1
CAT#:1568-C12986-02Size:10 mM / 1 mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1714146-59-4
Synonyms
GSK602
SKU
C12986-5mg
Target
Epigenetic Reader Domain
Applications
Epigenetics
Smiles
CCN1C=C (C2=C (C1=O) C=C (S2) C (=NC3CCS (=O) (=O) CC3) N) C4=CC (=CC=C4) C (F) (F) F
Molecular Formula
C22H22F3N3O3S2
Additionnal Information
I-BRD9 (GSK602) is a potent and selective BRD9 inhibitor with pIC50 of 7.3, while it displayed a pIC50 of 5.3 against BRD4.
Storage Conditions
2 years -80 in solvent

Chemical Information

I-Brd9
CAS Number1714146-59-4
PubChem CID91668541
IUPAC NameN'-(1,1-dioxothian-4-yl)-5-ethyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide
Molecular FormulaC22H22F3N3O3S2
Molecular Weight497.6
XLogP2.9
Topological Polar Surface Area129
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity915
SMILES
CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27)
InChIKey
WRUWGLUCNBMGPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of I-Brd9
CAS: 1714146-59-4
CID: 91668541
Formula: C22H22F3N3O3S2
MW: 497.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.6
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass497.10546841
Monoisotopic Mass497.10546841
Topological Polar Surface Area129 Ų
Heavy Atom Count33
Formal Charge0
Complexity915
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

Related Products

CatalogName
A08420-1Anti-BRD9 Antibody Picoband®
C17306-25mgTubeimoside I
C17656-25mgSpiramycin I
C17656Spiramycin I
C13964Polyphyllin I
C09237Icariside I
C13880-1mgTenacissoside I
C13871-1gDihydrotanshinone I
C12185-5mgI-CBP112
C12185-2mgI-CBP112

Alternative Products

CatalogName
B6169-25I-BRD9
A15872-50I-BRD9 50mg
A15872-5I-BRD9 5mg

Popular Products