Research chemical
CAS Number: 1008711-16-7
![Methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate molecular structure, CAS 1008711-16-7](/structure-images/1008711-16-7.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
3848845
Exact Mass
433.99359
InChIKey
IZFRXQZPXKZHDE-UHFFFAOYSA-N
IUPAC Name
methyl 3-[[5-(4-bromoanilino)-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoate
SMILES String
COC(=O)c1cccc(CN2C(=O)SC(Nc3ccc(Br)cc3)C2=O)c1
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate is identified by CAS 1008711-16-7, with molecular formula C18H15BrN2O4S, molecular weight 435.3, InChIKey IZFRXQZPXKZHDE-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Microtubule-associated protein tau. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
XLogP
4.1
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
26
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
5
Ring count
3
Aromatic rings
2
Topological polar surface area
75.71 Ų
Computed LogP
3.87
Fragment-like structure rule
No
Lead-like structure rule
No
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.
Structural features
Methyl 3-({5-[(4-bromophenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}methyl)benzoate (CAS 1008711-16-7) is an English MolGraph catalog reference, molecular formula C18H15BrN2O4S and molecular weight 435. 30 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
ChEMBL reports experimental activity evidence for: Microtubule-associated protein tau (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Microtubule-associated protein tau
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.85
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.