Research chemical
U0126
CAS Number: 109511-58-2
Product details
Identity & specification
- Molecular formula
- C18H16N6S2
- Molecular weight
- 380.5 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
3006531
Exact Mass
380.087787
InChIKey
DVEXZJFMOKTQEZ-JYFOCSDGSA-N
IUPAC Name
(2Z,3Z)-2,3-bis[amino-(2-aminophenyl)sulfanylmethylidene]butanedinitrile
SMILES String
N#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C(\N)Sc1ccccc1N
Physical Properties
Appearance
White to off-white to gray powder or crystals
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
26
H-bond acceptors
6
H-bond donors
8
Rotatable bonds
5
Ring count
2
Aromatic rings
2
Topological polar surface area
151.66 Ų
Computed LogP
3.12
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.
Catalog Facts
Structural features
U0126 (CAS 109511-58-2) is maintained as a cataloged research chemical with formula C18H16N6S2, molecular weight 380. 50 g/mol, PubChem CID 3006531.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, package-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302; for research use only.
Applications & Classification
Biological target reference
ChEMBL reports experimental activity evidence for: Dual specificity mitogen-activated protein kinase kinase 2 (Homo sapiens) — 4 assays; Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens) — 8 assays; Microtubule-associated protein tau (Homo sapiens) — 3 assays; MAP kinase-activated protein kinase 5 (Homo sapiens) — 4 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Dual specificity mitogen-activated protein kinase kinase 2
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 4 documents · best pChEMBL 7.24
Experimental evidence source: ChEMBL
Dual specificity mitogen-activated protein kinase kinase 1
Homo sapiens · SINGLE PROTEIN · 8 qualifying assays · 8 documents · best pChEMBL 7.16
Experimental evidence source: ChEMBL
Microtubule-associated protein tau
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 4.85
Experimental evidence source: ChEMBL
MAP kinase-activated protein kinase 5
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 3 documents · best pChEMBL 4.3
Experimental evidence source: ChEMBL
Tyrosyl-DNA phosphodiesterase 1
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 4.3
Experimental evidence source: ChEMBL
Safety & Handling
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
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCatalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement notes
Sourcing context and documentation notes
Show details
Procurement notes
Sourcing context and documentation notes
MolGraph uses public price and availability evidence as a starting point, then confirms current stock, quotation, COA/SDS, lot specification, lead time, and shipment documentation before final acceptance.
Package and specification
Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Final lot confirmation
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supply documentation
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Quotation review
Final quote depends on quantity, lead time, destination, and supplier confirmation.
Procurement questions
Is CAS 109511-58-2 in stock?
U0126 is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.
How is the final price confirmed?
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.
Can MolGraph provide COA or SDS for CAS 109511-58-2?
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.