DBEQ

CAT: 0127-BUP15523-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15523-03Size:25 mg

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

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CAS Number

177355-84-9

Synonyms

JRF 12

MDL Number

MFCD03691820

Purity

=95%

Smiles

C(Nc1nc(NCc2ccccc2)c2ccccc2n1)c1ccccc1

Chemical Information

N2,N4-Dibenzylquinazoline-2,4-diamine

DBeQ is a selective, potent, reversible, and ATP-competitive p97 inhibitor (Selleckchem).

CAS Number	177355-84-9
PubChem CID	676352
IUPAC Name	2-N,4-N-dibenzylquinazoline-2,4-diamine
Molecular Formula	C22H20N4
Molecular Weight	340.4
XLogP	5.3
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	403

SMILES

C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)NCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4/c1-3-9-17(10-4-1)15-23-21-19-13-7-8-14-20(19)25-22(26-21)24-16-18-11-5-2-6-12-18/h1-14H,15-16H2,(H2,23,24,25,26)

InChIKey

QAIMUUJJAJBPCL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 177355-84-9

CID: 676352

Formula: C22H20N4

MW: 340.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.4
XLogP3	5.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	340.16879665
Monoisotopic Mass	340.16879665
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	403
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
OR1024461-01	Dbe Dibasic Ester

Catalog	Name
1858-5	DBeQ