DVR-01

CAT: 0127-BUP08011-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08011-01Size:5 mg

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CAS Number

330461-34-2

Synonyms

3- (azepan-1-ylsulfonyl) -N-benzyl-4-chlorobenzamide

Purity

=98%

Smiles

S(=O)(=O)(C1=CC(C(NCC2=CC=CC=C2)=O)=CC=C1Cl)N3CCCCCC3

Chemical Information

3-(azepan-1-ylsulfonyl)-N-benzyl-4-chlorobenzamide

CAS Number	330461-34-2
PubChem CID	1079083
IUPAC Name	3-(azepan-1-ylsulfonyl)-N-benzyl-4-chlorobenzamide
Molecular Formula	C20H23ClN2O3S
Molecular Weight	406.9
XLogP	3.7
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	579

SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H23ClN2O3S/c21-18-11-10-17(20(24)22-15-16-8-4-3-5-9-16)14-19(18)27(25,26)23-12-6-1-2-7-13-23/h3-5,8-11,14H,1-2,6-7,12-13,15H2,(H,22,24)

InChIKey

PBAWFYZFSXYUOS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 330461-34-2

CID: 1079083

Formula: C20H23ClN2O3S

MW: 406.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	406.9
XLogP3	3.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	406.1117915
Monoisotopic Mass	406.1117915
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	579
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
GTR19174687-01	DVR-01
GTR17950344	DVR Antibody
T27222-01	DVR-23
MBS1166233-01	Recombinant Xenopus laevis Protein DVR-1 (dvr1)
T3640	COS-7-DRA101:01/DRB101:01 Cell Line
T3637	COS-7-DRA101:01/DRB501:01 Cell Line
T3649	COS-7-DRA101:01/DRB301:01 Cell Line
T3648	COS-7-DRA101:01/DRB401:01 Cell Line
MBS1093595-01	Recombinant Danio rerio Protein DVR-1 (dvr1)
MBS1232130-01	Recombinant Strongylocentrotus purpuratus Protein DVR-1 homolog (DVR1)