Basic information
- CAS
827591-04-8- Standard SMILES
O=C(N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21)c1ccccn1- InChIKey
WJQBOBGVBBZLJU-HNNXBMFYSA-N- Molecular formula
- C18H16ClN3O
- Average molar mass
- 325.8 g/mol
- Monoisotopic mass
- 325.0981898
Names & identifiers
- Preferred name
- Gsk984
- IUPAC
- N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]pyridine-2-carboxamide
- English name
- GSK984 >=98% (HPLC)
- Molecular formula
- C18H16ClN3O
- Molecular weight
- 325.79
Names & synonyms
GSK984827591-04-8RefChem:782743110-657-6(S)-N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)picolinamideN-[(1S)-6-Chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-pyridinecarboxamiden-[(1S)-6-chloro-2,3,4,9-tetrahydro-1h-carbazol-1-yl]pyridine-2-carboxamideCHEMBL564677orb1697045SCHEMBL4025228GLXC-10003AKOS040751969
Show more names
GSK984 >=98% (HPLC)2-Pyridinecarboxamide, N-[(1S)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-
GSK984, >=98% (HPLC)HY-129253T32012
Database identifiers
- CAS
827591-04-8- PubChem CID
- 11472829
- ChEMBL
CHEMBL564677- EC Number
- 110-657-6
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- Boiling point
- 627.1 · 627.1±55.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 13.1 · 13.10±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Applications
DescriptionGSK984 is a negative control probe for GSK983 (GLXC-08449).
UsesGSK984 is an inactive control probe for GSK983 (HY-119098), a dihydroorotate dehydrogenase (DHODH) inhibitor with antiviral activity[1].
Suppliers3 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
北京百奥创新科技有限公司15522676233 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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