Bcl-B inhibitor 1

CAT: 0127-BUP06048-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP06048-01Size:10 mg

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CAS Number

79220-88-5

Purity

=95%

Smiles

S=C1N(C=C(N1)C2=CC=CC=C2)C3=CC=C(NC(C)=O)C=C3

Chemical Information

N-(4-(4-Phenyl-2-thioxo-2,3-dihydro-1H-imidazol-1-yl)phenyl)acetamide

CAS Number	79220-88-5
PubChem CID	719482
IUPAC Name	N-[4-(5-phenyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]acetamide
Molecular Formula	C17H15N3OS
Molecular Weight	309.4
XLogP	2.3
Topological Polar Surface Area	76.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	463

SMILES

CC(=O)NC1=CC=C(C=C1)N2C=C(NC2=S)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3OS/c1-12(21)18-14-7-9-15(10-8-14)20-11-16(19-17(20)22)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,21)(H,19,22)

InChIKey

ZCUQXYLNTJAWPQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 79220-88-5

CID: 719482

Formula: C17H15N3OS

MW: 309.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.4
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	309.09358328
Monoisotopic Mass	309.09358328
Topological Polar Surface Area	76.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	463
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
BISN0223-01	B-Raf inhibitor 1
BUP20417-01	Aurora B inhibitor 1
BISN0297-01	B-Raf inhibitor 1 dihydrochloride
BUP07632-01	AP-1/NF-?B activation inhibitor 1
BISN0249-01	B-Raf inhibitor
BUP09785-01	MCL-1/BCL-2-IN-2
BUP00680-01	MPGES-1 Inhibitor-1
BUP10767-01	NDH-1 inhibitor-1
BUP06542-01	FBPase-1 inhibitor-1
BI12298	C. difficile Toxin B (TcdB) inhibitor

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