OF-1

CAT: 0957-S7681-01Size: 5 mgDry Ice: YesHazardous: No

1 / 1

CAT#:0957-S7681-01Size:5 mg

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Description

OF-1 is a potent inhibitor of BRPF1B and BRPF2 bromodomain with Kd of 100 nM and 500 nM, respectively.

CAS Number

919973-83-4

Target

Epigenetic Reader Domain

Activity

Epigenetics

Molecular Formula

C17H18BrN3O4S

Storage Conditions

2 years -80 in solvent

Chemical Information

4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl)-2-methyl-benzenesulfonamide

CAS Number	919973-83-4
PubChem CID	35397514
IUPAC Name	4-bromo-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzenesulfonamide
Molecular Formula	C17H18BrN3O4S
Molecular Weight	440.3
XLogP	2.5
Topological Polar Surface Area	87.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	640

SMILES

CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C

InChI

InChI=1S/C17H18BrN3O4S/c1-10-7-11(18)5-6-16(10)26(23,24)19-12-8-13-14(9-15(12)25-4)21(3)17(22)20(13)2/h5-9,19H,1-4H3

InChIKey

YUNQZQREIHWDQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 919973-83-4

CID: 35397514

Formula: C17H18BrN3O4S

MW: 440.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	440.3
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	439.02014
Monoisotopic Mass	439.02014
Topological Polar Surface Area	87.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	640
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
297272-01	1,1,1,1,1-Kestoheptaose
T5790-01	1,1,1,1-Kestohexaose
MBS5752139	1,1,1,1-Kestohexose
TRC-T773995-100MG	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
DFA88480-01	1-Bromobicyclo[1.1.1]pentane
HY-157129	AMPK-α1β1γ1 activator 1
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
410416-01	1,1,1-Trichlorododcane
158582	1,1,1-Trimethoxybutane