Research chemical
CAS Number: 109826-26-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
65909
Exact Mass
428.221226
InChIKey
HTGCJAAPDHZCHL-UHFFFAOYSA-N
IUPAC Name
3-[1-[(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILES String
CC1(C2=CC=CN2C3=CC=CC=C3CO1)CN4CCC(CC4)N5C6=CC=CC=C6NC5=O
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Zaldaride is identified by CAS 109826-26-8, with molecular formula C26H28N4O2, molecular weight 428.5, InChIKey HTGCJAAPDHZCHL-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Tyrosyl-DNA phosphodiesterase 1, Peripheral myelin protein 22. 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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
32
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
3
Ring count
6
Aromatic rings
4
Topological polar surface area
55.19 Ų
Computed LogP
4.2
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
Zaldaride (CAS 109826-26-8) is maintained as a commercial cas reference with formula C26H28N4O2, molecular weight 428. 50 g/mol, PubChem CID 65909.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 3 assays; Peripheral myelin protein 22 (Rattus norvegicus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Tyrosyl-DNA phosphodiesterase 1
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 4.2
Experimental evidence source: ChEMBL
Peripheral myelin protein 22
Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 1 documents
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.