BePI

CAT: 0931-T30425-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T30425-01Size:25 mg

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CAS Number

133712-11-5

Target

Others

Related Pathways

Others

Bioactivity

BePI can be a specific intercalator of both double and triple-helical DNA.

Smiles

N(CCCN)C1=C2C=3C=4C(=CC(OC)=CC4)C=CC3NC2=C(C)C=N1

Molecular Formula

C20H22N4O

Molecular Weight

334.41

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

3-methoxy-7H-8-methyl-11-((3'-amino)propylamino)benzo(e)pyrido(4,3-b)indole

a benzo(e)pyridoindole derivative

CAS Number	133712-11-5
PubChem CID	131659
IUPAC Name	N'-(5-methoxy-13-methyl-11,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-16-yl)propane-1,3-diamine
Molecular Formula	C20H22N4O
Molecular Weight	334.4
XLogP	4.2
Topological Polar Surface Area	76
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	447

SMILES

CC1=CN=C(C2=C1NC3=C2C4=C(C=C3)C=C(C=C4)OC)NCCCN

InChI

InChI=1S/C20H22N4O/c1-12-11-23-20(22-9-3-8-21)18-17-15-6-5-14(25-2)10-13(15)4-7-16(17)24-19(12)18/h4-7,10-11,24H,3,8-9,21H2,1-2H3,(H,22,23)

InChIKey

ZRXYNJUDISKEAO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 133712-11-5

CID: 131659

Formula: C20H22N4O

MW: 334.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	334.4
XLogP3	4.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	334.17936134
Monoisotopic Mass	334.17936134
Topological Polar Surface Area	76 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	447
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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