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Bioactive Small Molecules
Benzenesulfonamide, N-(((1,1-dimethylethyl)amino)carbonyl)-2-((4-methylphenyl)amino)-5-nitro- , CAS No.284464-83-1

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Benzenesulfonamide, N-(((1,1-dimethylethyl)amino)carbonyl)-2-((4-methylphenyl)amino)-5-nitro- , CAS No.284464-83-1

CAS#: 284464-83-1 View More⌵
Molecular Weight: 406.5
PubChem CID: 5312142

Item Number

B668916

Grouped product items
SKU	Size	Availability	Price	Qty
B668916-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90	+-
B668916-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90	+-

Basic Description

Synonyms	BM-573 \| UNII-8E9L957C3G \| 8E9L957C3G \| Benzenesulfonamide, N-(((1,1-dimethylethyl)amino)carbonyl)-2-((4-methylphenyl)amino)-5-nitro- \| BM573 \| n-[[(1,1-dimethylethyl)amino]carbonyl]-2-[(4-methylphenyl)amino]-5-nitro-benzenesulfonamide \| Benzenesulfonamid

AI Insight

Product Properties

ALogP	3.8

Associated Targets(Human)

TBXA2R Tclin Thromboxane A2 receptor (4 Activities)

Discover Target: TBXA2R

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)

Discover Target: TBXA2R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

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

Names and Identifiers

IUPAC Name	1-tert-butyl-3-[2-(4-methylanilino)-5-nitrophenyl]sulfonylurea
INCHI	InChI=1S/C18H22N4O5S/c1-12-5-7-13(8-6-12)19-15-10-9-14(22(24)25)11-16(15)28(26,27)21-17(23)20-18(2,3)4/h5-11,19H,1-4H3,(H2,20,21,23)
InChi Key	SILRUCMXYIKULW-UHFFFAOYSA-N
Canonical SMILES	CC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=O)NC(C)(C)C
Isomeric SMILES	CC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)NC(=O)NC(C)(C)C
PubChem CID	5312142
Molecular Weight	406.5

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	406.500 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	406.131 Da
Monoisotopic Mass	406.131 Da
Topological Polar Surface Area	142.000 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	657.000
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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