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Small Molecules & Compound Libraries
WAY-243545 - 10mM in DMSO, high purity , CAS No.78080-33-8

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WAY-243545 - 10mM in DMSO, high purity , CAS No.78080-33-8

COA

Grade & Purity:

10mM in DMSO

Cas Number: 78080-33-8
Molecular Weight: 248.39
PubChem CID: 693948

In stock

Item Number

W425929

Grouped product items
SKU	Size	Availability	Price	Qty
W425929-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90

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Compound libraries (12325)

Basic Description

Synonyms	1-benzyl-3-cyclohexylthiourea \| 78080-33-8 \| 3-benzyl-1-cyclohexylthiourea \| NSC137936 \| MLS000712342 \| CHEMBL1425524 \| DTXSID10999310 \| STK980431 \| AKOS000534012 \| CCG-235383 \| NSC-137936 \| WAY-243545 \| SMR000282109 \| N'-Benzyl-N-cyclohexylcarbamimidothioic acid \| F3096-0795
Specifications & Purity	10mM in DMSO
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	antiprotozoal activity

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Thioureas Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	4.099
HBD Count	2
Rotatable Bond	5

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-benzyl-3-cyclohexylthiourea
INCHI	InChI=1S/C14H20N2S/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H2,15,16,17)
InChIKey	WUJPBZFYSNBQRH-UHFFFAOYSA-N
Smiles	C1CCC(CC1)NC(=S)NCC2=CC=CC=C2
Isomeric SMILES	C1CCC(CC1)NC(=S)NCC2=CC=CC=C2
PubChem CID	693948
Molecular Weight	248.39

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

DMSO(mM) Max Solubility	10
Molecular Weight	248.390 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	248.135 Da
Monoisotopic Mass	248.135 Da
Topological Polar Surface Area	56.200 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	230.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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