Basic information
- CAS
188343-77-3- Standard SMILES
CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1- InChIKey
RBWNFHXBUDPAIO-UHFFFAOYSA-N- Molecular formula
- C21H22FN3
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.17977588
Overview
MBP146-78 has been reported in Diaporthe with data available.
Names & identifiers
- Preferred name
- 4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
- IUPAC
- 4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine
- English name
- MBP146-78
- Molecular formula
- C21H22FN3
- Molecular weight
- 335.42
Names & synonyms
4-[2-(4-Fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl]pyridine4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1h-pyrrol-3-yl)pyridineRefChem:912055P-(FP)-MP-PP188343-77-3MBP146-78Pyridine, 4-[2-(4-fluorophenyl)-5-(1-methyl-4-piperidinyl)-1H-pyrrol-3-yl]-4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl]pyridine4-(2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl)pyridineMFCD30474871CHEMBL190228MMV688703
Show more names
CS-2661MBP146-78, 10 mM in DMSOParasite,MBP-146-78,MBP146-78,MBP146 78,inhibit,MBP14678,Inhibitor4-[2-(4-Fluorophenyl)-5-(1-methyl-4-piperidinyl)-1H-pyrrol-3-yl]pyridine4-(2-(4-Fluorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrrol-3-yl)pyridine , MBP146-78
4-[2-(4-fluorophenyl)-5-(1-methyl-4-piperidyl)-1H-pyrrol-3-yl]pyridineorb1220459orb1299922SCHEMBL3290870C21H22FN3DTXSID30333333EX-A1848NHA34377
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 31.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 409
Physicochemical properties
- Boiling point
- 477.6 · 477.6±45.0 °C(Predicted)
- Density
- 1.164 · 1.164±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 7.69 mg/mL · DMSO : 7.69 mg/mL (22.93 mM)
- pka
- 16.04 · 16.04±0.50(Predicted)
- form
- Solid
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-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-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesMBP146-78 is a potent and selective inhibitor of cGMP dependent protein kinases.
Suppliers39 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海波以尔化工有限公司[email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
InvivoChem中国13549236410 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海楼岚生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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