Research chemical
CAS Number: 3074962-67-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
171037966
Exact Mass
585.294651
InChIKey
OWUNKVKTBJZCJX-NQWQHZCESA-N
IUPAC Name
methyl (4R)-4-[(3S,5R,8R,9S,10S,12S,13R,14S,17R)-3-(1,3-benzothiazol-2-ylsulfanylmethyl)-3,12-dihydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
SMILES String
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](O)(CSc5nc6ccccc6s5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
TDP1 Inhibitor-3 is identified by CAS 3074962-67-4, with molecular formula C33H47NO4S2, molecular weight 585.9, InChIKey OWUNKVKTBJZCJX-NQWQHZCESA-N.
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.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
40
H-bond acceptors
5
H-bond donors
2
Rotatable bonds
7
Ring count
6
Aromatic rings
2
Topological polar surface area
79.65 Ų
Computed LogP
7.34
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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
TDP1 Inhibitor-3 (CAS 3074962-67-4) is maintained as a commercial cas reference with formula C33H47NO4S2, molecular weight 585. 90 g/mol, PubChem CID 171037966.
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.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.