Research chemical
CAS Number: 1009251-91-5
![2-[1-methyl-5-oxo-3-(2-thienylmethyl)-2-thioxo-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide molecular structure, CAS 1009251-91-5](/structure-images/1009251-91-5.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2950277
Exact Mass
417.118084
InChIKey
JQWCAEYKTXUXNQ-UHFFFAOYSA-N
IUPAC Name
2-[1-methyl-5-oxo-2-sulfanylidene-3-(thiophen-2-ylmethyl)imidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
SMILES String
CCCOc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2Cc2cccs2)cc1
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.
2-[1-methyl-5-oxo-3-(2-thienylmethyl)-2-thioxo-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide is identified by CAS 1009251-91-5, with molecular formula C20H23N3O3S2, molecular weight 417.5, InChIKey JQWCAEYKTXUXNQ-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Cellular tumor antigen p53, Fatty acid synthase, Tyrosyl-DNA phosphodiesterase 1. 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.
XLogP
2.8
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
28
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
8
Ring count
3
Aromatic rings
2
Topological polar surface area
61.88 Ų
Computed LogP
3.49
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
2-[1-methyl-5-oxo-3-(2-thienylmethyl)-2-thioxo-4-imidazolidinyl]-N-(4-propoxyphenyl)acetamide (CAS 1009251-91-5) is an English MolGraph catalog reference, molecular formula C20H23N3O3S2 and molecular weight 417. 50 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: Cellular tumor antigen p53 (Homo sapiens) — 3 assays; Fatty acid synthase (Homo sapiens) — 2 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Cellular tumor antigen p53
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.55
Experimental evidence source: ChEMBL
Fatty acid synthase
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Tyrosyl-DNA phosphodiesterase 1
Homo sapiens · 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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.