I-BET469

CAT: 0931-T70003-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T70003-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2003197-53-1

Target

Others

Related Pathways

Others

Bioactivity

I-BET469 is a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose.

Smiles

C(COC)(COC)N1C(=NC=2C1=CC=C(C2)N3CCOCC3)C=4C=C(C)C(=O)N(C)C4

Molecular Formula

C23H30N4O4

Molecular Weight

426.51

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

5-[1-(1,3-Dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one

CAS Number	2003197-53-1
PubChem CID	122512239
IUPAC Name	5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-ylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one
Molecular Formula	C23H30N4O4
Molecular Weight	426.5
XLogP	0.9
Topological Polar Surface Area	69.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	31
Formal Charge	0
Complexity	700

SMILES

CC1=CC(=CN(C1=O)C)C2=NC3=C(N2C(COC)COC)C=CC(=C3)N4CCOCC4

InChI

InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3

InChIKey

DDSHVVXWYKDTTQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2003197-53-1

CID: 122512239

Formula: C23H30N4O4

MW: 426.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	426.5
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	426.22670545
Monoisotopic Mass	426.22670545
Topological Polar Surface Area	69.1 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	700
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

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I-BET469

Chemical Information

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