Basic information
- CAS
70-09-7- Standard SMILES
O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCCN3)cc2)c(Cl)c1- InChIKey
UJQGBYRKCZQJJS-UHFFFAOYSA-N- Molecular formula
- C26H23ClN6O2
- Average molar mass
- 487 g/mol
- Monoisotopic mass
- 486.1571017
Names & identifiers
- Preferred name
- Wander
- IUPAC
- 2-chloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide
- English name
- NSC 38280
- Molecular weight
- 0
Names & synonyms
NSC-6033970-09-7Wander2-Chloro-N1,N4-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)terephthalamideHR 2198MLS000737368NSC 603392-Chloro-4',4''-di-2-imidazolin-2-yl-terephthalanilideWDG983W63ENSC603392-chloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamideSMR000528281
Show more names
NSC 38280inhibit,NSC 60339,NSC60339,NSC-60339,Bacterial,Inhibitor2-Chloro-N,N'-bis[4-(2-imidazolin-2-yl)phenyl]terephthalamideTerephthalanilide, 2-chloro-4',4''-di-2-imidazolin-2-yl- (8ci)1,4-Benzenedicarboxamide, 2-chloro-N,N'-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)- (9ci)
Terephthalanilide, 2-chloro-4',4''-di-2-imidazolin-2-yl-2-chloro-N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]terephthalamide1,4-Benzenedicarboxamide, 2-chloro-N,N'-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)-C26H23ClN6O2Glycopeptide, 3b2-chloro-N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamideUNII-WDG983W63Ecid_65558
Database identifiers
- CAS
70-09-7- PubChem CID
- 65558
- DTXSID
DTXSID50990240- ChEMBL
CHEMBL1448793- UNII
- WDG983W63E
- Nikkaji
- J130.124A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 832
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 5 mg/mL · DMSO: 5 mg/mL (10.27 mM)
- form
- Solid
- color
- Off-white to light yellow
- FDA UNII
- 983 W63E · WDG983W63E
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesNSC-60339, an efflux pump inhibitor and a substrate of AcrAB-TolC, is a polybasic terephthalic acid derivative studied as a potential cancer chemotherapeutic agent[1][2].
Suppliers17 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
InvivoChem+1-708-310-1919 +1-13798911105 · [email protected]
北京索莱宝科技有限公司17801761073 18101056239 · [email protected]
广州优南科技有限公司020-82000279 18988941452 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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