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CRCD2

CAT: 0013-GTR19243625-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243625-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
1H-Benzimidazole-6-carboxamide, N-[3- (aminocarbonyl) -4,5,6,7-tetrahydrobenzo[b]thien-2-yl]- may have antitumor activity.
CAS Number
941185-83-7
Purity
>98% (HPLC)
Smiles
C (N) (=O) C=1C2=C (SC1NC (=O) C=3C=C4C (=CC3) N=CN4) CCCC2
Molecular Formula
C17H16N4O2S
Molecular Weight
340.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

N-(3-Carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1H-benzo[d]imidazole-6-carboxamide
CAS Number941185-83-7
PubChem CID22108329
IUPAC NameN-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3H-benzimidazole-5-carboxamide
Molecular FormulaC17H16N4O2S
Molecular Weight340.4
XLogP3
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity517
SMILES
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC4=C(C=C3)N=CN4)C(=O)N
InChI
InChI=1S/C17H16N4O2S/c18-15(22)14-10-3-1-2-4-13(10)24-17(14)21-16(23)9-5-6-11-12(7-9)20-8-19-11/h5-8H,1-4H2,(H2,18,22)(H,19,20)(H,21,23)
InChIKey
PBSNIERBSVCZDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-Carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1H-benzo[d]imidazole-6-carboxamide
CAS: 941185-83-7
CID: 22108329
Formula: C17H16N4O2S
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass340.09939694
Monoisotopic Mass340.09939694
Topological Polar Surface Area129 Ų
Heavy Atom Count24
Formal Charge0
Complexity517
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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