Research chemical
CAS Number: 847553-89-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
11374217
Exact Mass
445.18017
InChIKey
SFRQIPRTNYHJHP-UHFFFAOYSA-N
IUPAC Name
N-[(4-fluorophenyl)methyl]-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide
SMILES String
O=C(NCc1ccc(F)cc1)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)C2C1
No physical property values available.
XLogP
3.7
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
33
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
4
Ring count
5
Aromatic rings
3
Topological polar surface area
61.88 Ų
Computed LogP
4.12
Structural features
Sha-68 (CAS 847553-89-3) is listed in the Advanced Chemicals portfolio, with molecular formula C26H24FN3O3 and molecular weight 445. 50 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319; For research use only.
ChEMBL reports experimental activity evidence for: Neuropeptide S receptor (Homo sapiens) — 8 assays; Apelin receptor (Homo sapiens) — 4 assays; Glucose-dependent insulinotropic receptor (Homo sapiens) — 4 assays; Free fatty acid receptor 4 (Homo sapiens) — 4 assays; Glucagon-like peptide 1 receptor (Homo sapiens) — 4 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Neuropeptide S receptor
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.
Sha-68 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
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.
Homo sapiens · SINGLE PROTEIN · 8 qualifying assays · 2 documents · best pChEMBL 8.28
Experimental evidence source: ChEMBL
Apelin receptor
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 2 documents · best pChEMBL 5.65
Experimental evidence source: ChEMBL
Glucose-dependent insulinotropic receptor
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 2 documents · best pChEMBL 5.62
Experimental evidence source: ChEMBL
Free fatty acid receptor 4
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 2 documents · best pChEMBL 5.54
Experimental evidence source: ChEMBL
Glucagon-like peptide 1 receptor
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 2 documents · best pChEMBL 5.53
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
Supplier SDS hazard code reference; confirm full text in supplier documentation.
Precautionary statements: P501, P270, P264, P280, P302+P352, P337+P313, P305+P351+P338, P362+P364, P332+P313, P301+P312+P330
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.