C387-1610 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-{[4-(propan-2-yl)phenyl]amino}quinoline-4-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C387-1610
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-{[4-(propan-2-yl)phenyl]amino}quinoline-4-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
C387-1610
Molecular Formula
C32H36FN5O (C32 H36 FN5 O)
Compound Name
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-{[4-(propan-2-yl)phenyl]amino}quinoline-4-carboxamide
IUPAC name
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-2-{[4-(propan-2-yl)phenyl]amino}quinoline-4-carboxamide
SMILES
CC(C)c(cc1)ccc1Nc1nc2ccccc2c(C(NCCCN(CC2)CCN2c(cccc2)c2F)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
525.67
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
6.806
Distribution Coefficient, logD
6.505
Water Solubility, LogSw
-5.85
Polar Surface Area
49.245
Acid Dissociation Constant (pKa)
16.08
Base Dissociation Constant (pKb)
7.40
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
31.30
C387-1610 in Drug Discovery
Included in Screening Libraries
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with C387-1610 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)