Research chemical
CAS Number: 100158-38-1
Product details
For laboratory research and professional procurement workflows.
PubChem CID
107867
Exact Mass
421.247775
InChIKey
UBRKDAVQCKZSPO-UHFFFAOYSA-N
IUPAC Name
11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
SMILES String
CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
No physical property values available.
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.
11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one is identified by CAS 100158-38-1, with molecular formula C24H31N5O2, molecular weight 421.5, InChIKey UBRKDAVQCKZSPO-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M1, Muscarinic acetylcholine receptor DM1, Muscarinic acetylcholine receptor M3. 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
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
31
H-bond acceptors
7
H-bond donors
1
Rotatable bonds
6
Ring count
4
Aromatic rings
2
Topological polar surface area
68.78 Ų
Computed LogP
3.51
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
11-(2-(2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido(2,3-b)(1,4)benzodiazepin-6-one (CAS 100158-38-1) is an English MolGraph catalog reference, molecular formula C24H31N5O2 and molecular weight 421. 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, bioactivity screening workflows, 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: Muscarinic acetylcholine receptor M2 (Homo sapiens) — 3 assays; Muscarinic acetylcholine receptor M2 (Rattus norvegicus) — 2 assays; Muscarinic acetylcholine receptor M1 (Homo sapiens) — 3 assays; Muscarinic acetylcholine receptor DM1 (Drosophila melanogaster) — 2 assays; Muscarinic acetylcholine receptor M3 (Rattus norvegicus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Muscarinic acetylcholine receptor M2
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 8.15
Experimental evidence source: ChEMBL
Muscarinic acetylcholine receptor M2
Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 7.3
Experimental evidence source: ChEMBL
Muscarinic acetylcholine receptor M1
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 3 documents · best pChEMBL 6.75
Experimental evidence source: ChEMBL
Muscarinic acetylcholine receptor DM1
Drosophila melanogaster · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.91
Experimental evidence source: ChEMBL
Muscarinic acetylcholine receptor M3
Rattus norvegicus · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 5.22
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.
Preliminary Safety Reference
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Safety Reference / SDS RequestAvailability, pack size, lead time, and pricing are confirmed through RFQ.
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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