L162-0430 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]isoquinoline-7-carboxamide
Chemical Structure Depiction of ChemDiv screening compound L162-0430
1-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]isoquinoline-7-carboxamide
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
L162-0430
Molecular Formula
C28H27FN4O2 (C28 H27 FN4 O2)
Compound Name
1-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]isoquinoline-7-carboxamide
IUPAC name
1-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]isoquinoline-7-carboxamide
SMILES
COc1ccc(CNC(c2ccc(ccnc3N(CC4)CCN4c(cccc4)c4F)c3c2)=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
470.55
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.091
Distribution Coefficient, logD
5.077
Water Solubility, LogSw
-5.08
Polar Surface Area
47.317
Acid Dissociation Constant (pKa)
12.50
Base Dissociation Constant (pKb)
5.90
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
21.40
L162-0430 in Drug Discovery
Included in Screening Libraries
C-Met Library (15277 compounds)
Protein-Protein Interaction Library (218420 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Epigenetics Focused Set (26518 compounds)
Included in 1.7M Stock Database
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Endocrine
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Kinases
- Proteases
- Receptor's ligands
- PPI modulators
References: we are preparing a list of scientific research reports with L162-0430 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)