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Bi Unit

CAT: 0804-HY-157565Size: InquireDry Ice: NoHazardous: No
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CAT#:0804-HY-157565Size:Inquire
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2306467-24-1
UNSPSC Description
Bi Unit is an inhibitor unit for BI-PIP coupling[1].
Target Antigen
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/bi-unit.html
Solubility
10 mM in DMSO
Smiles
CC1=NOC(C)=C1C2=CC(N=C(CCC3=CC=C(C=C3)OCCN)N4CCN5CCOCC5)=C4C=C2
Molecular Weight
489.61
References & Citations
[1]Taniguchi J, et al. Biomimetic Artificial Epigenetic Code for Targeted Acetylation of Histones. J Am Chem Soc. 2018 Jun 13;140(23):7108-7115.
Shipping Conditions
Room temperature
Clinical Information
No Development Reported

Chemical Information

Bi Unit
CAS Number2306467-24-1
PubChem CID146236561
IUPAC Name2-[4-[2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]ethyl]phenoxy]ethanamine
Molecular FormulaC28H35N5O3
Molecular Weight489.6
XLogP3.2
Topological Polar Surface Area91.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count36
Formal Charge0
Complexity657
SMILES
CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)OCCN)CCN5CCOCC5
InChI
InChI=1S/C28H35N5O3/c1-20-28(21(2)36-31-20)23-6-9-26-25(19-23)30-27(33(26)13-12-32-14-17-34-18-15-32)10-5-22-3-7-24(8-4-22)35-16-11-29/h3-4,6-9,19H,5,10-18,29H2,1-2H3
InChIKey
VXUVXMBMHCLGQH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bi Unit
CAS: 2306467-24-1
CID: 146236561
Formula: C28H35N5O3
MW: 489.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.6
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass489.27399000
Monoisotopic Mass489.27399000
Topological Polar Surface Area91.6 Ų
Heavy Atom Count36
Formal Charge0
Complexity657
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

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