BTdCPU

CAT: 0607-BA2783-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA2783-25Size:25 mg

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CAS Number

1257423-87-2

Form

A solid

Molecular Formula

C13H8Cl2N4OS

Molecular Weight

339.20

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

1-(Benzo[d][1,2,3]thiadiazol-6-yl)-3-(3,4-dichlorophenyl)urea

CAS Number	1257423-87-2
PubChem CID	49787174
IUPAC Name	1-(1,2,3-benzothiadiazol-6-yl)-3-(3,4-dichlorophenyl)urea
Molecular Formula	C13H8Cl2N4OS
Molecular Weight	339.2
XLogP	3.7
Topological Polar Surface Area	95.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	389

SMILES

C1=CC2=C(C=C1NC(=O)NC3=CC(=C(C=C3)Cl)Cl)SN=N2

InChI

InChI=1S/C13H8Cl2N4OS/c14-9-3-1-7(5-10(9)15)16-13(20)17-8-2-4-11-12(6-8)21-19-18-11/h1-6H,(H2,16,17,20)

InChIKey

NUUSUAWULNXMGF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1257423-87-2

CID: 49787174

Formula: C13H8Cl2N4OS

MW: 339.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	339.2
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	337.9795875
Monoisotopic Mass	337.9795875
Topological Polar Surface Area	95.2 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	389
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
M20636-01	BTdCPU
217337-01	EIF2-GTP-tRNAiMet Ternary Complex Inhibitor, BTdCPU (N, N'-diarylurea; translation Initiation Tenrary Complex Inhibitor, 1- (benzo[d][1,2,3]thiadiazol-6-yl) -3- (3,4-dichlorophenyl) urea, BTdCPU, Heme-regulated Inhibitor Kinase Activator, BTdCPU)