Chitinase-IN-1 2mg

CAT: 0628-A20949-2Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0628-A20949-2Size:2 mg

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CAS Number

1579991-61-9

Chemical Information

Chitinase-IN-1

CAS Number	1579991-61-9
PubChem CID	86223063
IUPAC Name	2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]benzo[de]isoquinoline-1,3-dione
Molecular Formula	C18H16N4O2S
Molecular Weight	352.4
XLogP	2.1
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	501

SMILES

CC1=NN=C(S1)CNCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O

InChI

InChI=1S/C18H16N4O2S/c1-11-20-21-15(25-11)10-19-8-9-22-17(23)13-6-2-4-12-5-3-7-14(16(12)13)18(22)24/h2-7,19H,8-10H2,1H3

InChIKey

YHPDOCZSFWEMOD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1579991-61-9

CID: 86223063

Formula: C18H16N4O2S

MW: 352.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	352.4
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	352.09939694
Monoisotopic Mass	352.09939694
Topological Polar Surface Area	103 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	501
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
HY-18598-01	Chitinase-IN-1
124947	CHIT1 (Chitinase 1, Chitotriosidase-1, Chitinase-1)
124947-APC	CHIT1 (Chitinase 1, Chitotriosidase-1, Chitinase-1) (APC)
124946-HRP	CHIT1 (Chitinase 1, Chitotriosidase-1, Chitinase-1) (HRP)
MBS6135879-01	CHIT1 (Chitinase 1, Chitotriosidase-1, Chitinase-1) APC
MBS6146485-01	CHIT1 (Chitinase 1, Chitotriosidase-1, Chitinase-1) (FITC)
MBS6373864-01	CHIT1 (Chitinase 1, Chitotriosidase-1, Chitinase-1) (Biotin)
MBS6373862-01	CHIT1 (Chitinase 1, Chitotriosidase-1, Chitinase-1) (AP)
MBS6157091-01	CHIT1 (Chitinase 1, Chitotriosidase-1, Chitinase-1) (PE)