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BRD4770

CAT: 1568-C12802-02Size: 25 mgDry Ice: YesHazardous: No
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CAT#:1568-C12802-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1374601-40-7
SKU
C12802-5mg
Target
Histone Methyltransferase
Applications
Epigenetics
Smiles
COC (=O) C1=CC2=C (C=C1) N (C (=N2) NC (=O) C3=CC=CC=C3) CCCC4=CC=CC=C4
Molecular Formula
C25H23N3O3
Additionnal Information
BRD4770 is a histone methyltransferase G9a inhibitor with IC50 of 6.3 μM, and induces cell senescence.
Storage Conditions
2 years -80 in solvent

Chemical Information

Brd4770

2-benzamido-1-(3-phenylpropyl)-5-benzimidazolecarboxylic acid methyl ester is a member of benzimidazoles.

CAS Number1374601-40-7
PubChem CID72193870
IUPAC Namemethyl 2-benzamido-1-(3-phenylpropyl)benzimidazole-5-carboxylate
Molecular FormulaC25H23N3O3
Molecular Weight413.5
XLogP4.7
Topological Polar Surface Area73.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity601
SMILES
COC(=O)C1=CC2=C(C=C1)N(C(=N2)NC(=O)C3=CC=CC=C3)CCCC4=CC=CC=C4
InChI
InChI=1S/C25H23N3O3/c1-31-24(30)20-14-15-22-21(17-20)26-25(27-23(29)19-12-6-3-7-13-19)28(22)16-8-11-18-9-4-2-5-10-18/h2-7,9-10,12-15,17H,8,11,16H2,1H3,(H,26,27,29)
InChIKey
UCGWYCMPZXDHNR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Brd4770
CAS: 1374601-40-7
CID: 72193870
Formula: C25H23N3O3
MW: 413.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.5
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass413.17394160
Monoisotopic Mass413.17394160
Topological Polar Surface Area73.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity601
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

Alternative Products

CatalogName
B4837-25BRD4770
A14401-50BRD4770 50mg
A14401-10BRD4770 10mg
A14401-100BRD4770 100mg
A14401-25BRD4770 25mg
A14401-5BRD4770 5mg
A14401-2BRD4770 2mg
A14401-10mM-DBRD4770 10mM * 1mL in DMSO
217436HMTase Inhibitor VI, BRD4770 (Methyl-2-benzamido-1- (3-phenylpropyl) -1H-benzo[d]imidazole-5-carboxylate) discontinued

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