Research chemical
CAS Number: 799264-47-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
1088438
Exact Mass
287.072848
InChIKey
SRFABRWQVPCPRG-UHFFFAOYSA-N
IUPAC Name
1-(4-methylphenyl)sulfonylbenzimidazol-2-amine
SMILES String
Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1
Water Solubility
2.7 mol/L
XLogP
3.2
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
20
H-bond acceptors
5
H-bond donors
2
Rotatable bonds
2
Ring count
3
Aromatic rings
3
Topological polar surface area
77.98 Ų
Computed LogP
2.16
Structural features
1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine (CAS 799264-47-4) is listed in the Inhibitors and Agonists portfolio, with molecular formula C14H13N3O2S and molecular weight 287. 34 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for biochemical and pharmacology research workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; For research use only.
ChEMBL reports experimental activity evidence for: Nucleotide-binding oligomerization domain-containing protein 1 (Homo sapiens) — 14 assays; Interleukin-8 (Homo sapiens) — 5 assays; Nucleotide-binding oligomerization domain-containing protein 2 (Homo sapiens) — 10 assays; Tumor necrosis factor (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Nucleotide-binding oligomerization domain-containing protein 1
Homo sapiens · SINGLE PROTEIN · 14 qualifying assays · 7 documents · best pChEMBL 6.59
Experimental evidence source: ChEMBL
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
1-(4-methylbenzenesulfonyl)-1H-1,3-benzodiazol-2-amine is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Interleukin-8
Homo sapiens · SINGLE PROTEIN · 5 qualifying assays · 1 documents · best pChEMBL 6.26
Experimental evidence source: ChEMBL
Nucleotide-binding oligomerization domain-containing protein 2
Homo sapiens · SINGLE PROTEIN · 10 qualifying assays · 7 documents · best pChEMBL 4.26
Experimental evidence source: ChEMBL
Tumor necrosis factor
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestSignal word: Warning
Supplier SDS reference cue; confirm supplier documentation before use.
Hazard statements: H302, H315, H319, H335
Supplier SDS hazard code reference; confirm full text in supplier documentation.
Precautionary statements: P261, P305+P351+P338
Supplier SDS precautionary code reference; confirm full text in supplier documentation.
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.