Necrostatin-7

CAT: 0607-BA3482-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA3482-10Size:10 mg

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

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CAS Number

351062-08-3

Form

A solid

Molecular Formula

C16H10FN5OS2

Molecular Weight

371.41

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Necrostatin-7

CAS Number	351062-08-3
PubChem CID	1239801
IUPAC Name	(5Z)-5-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
Molecular Formula	C16H10FN5OS2
Molecular Weight	371.4
XLogP	3.4
Topological Polar Surface Area	139
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	581

SMILES

C1=CC(=CC=C1C2=C(C=NN2)/C=C\3/C(=O)N(C(=N)S3)C4=NC=CS4)F

InChI

InChI=1S/C16H10FN5OS2/c17-11-3-1-9(2-4-11)13-10(8-20-21-13)7-12-14(23)22(15(18)25-12)16-19-5-6-24-16/h1-8,18H,(H,20,21)/b12-7-,18-15?

InChIKey

SMJGLNVGTJLIRV-KBEFMPHXSA-N

Chemical Structure

2D Structure

CAS: 351062-08-3

CID: 1239801

Formula: C16H10FN5OS2

MW: 371.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.4
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	371.03108047
Monoisotopic Mass	371.03108047
Topological Polar Surface Area	139 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	581
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes