Research chemical
CAS Number: 1017682-65-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
46208486
Exact Mass
429.133649
InChIKey
LIPWZZYFIVYJSI-MRVPVSSYSA-N
IUPAC Name
(3R)-3-amino-4-(6,7-difluoro-2H-indazol-3-yl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
SMILES String
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1n[nH]c2c(F)c(F)ccc12
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.
PK 44 phosphate is identified by CAS 1017682-65-3, with molecular formula C17H16F5N7O, molecular weight 429.3, InChIKey LIPWZZYFIVYJSI-MRVPVSSYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Protein deacetylase HDAC6. 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.
XLogP
0.3
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
30
H-bond acceptors
8
H-bond donors
3
Rotatable bonds
4
Ring count
4
Aromatic rings
3
Topological polar surface area
105.72 Ų
Computed LogP
1.75
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
PK 44 phosphate (CAS 1017682-65-3) is an English MolGraph catalog reference, molecular formula C17H16F5N7O and molecular weight 429. 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: Protein deacetylase HDAC6 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Protein deacetylase HDAC6
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.