1314-0047 Screening compound: N-[5-(diethylamino)pentan-2-yl]-7-methoxy-2-[(1E)-2-(4-nitrophenyl)ethenyl]quinolin-4-amine

1314-0047 Screening compound: N-[5-(diethylamino)pentan-2-yl]-7-methoxy-2-[(1E)-2-(4-nitrophenyl)ethenyl]quinolin-4-amine
1314-0047 Screening compound: N-[5-(diethylamino)pentan-2-yl]-7-methoxy-2-[(1E)-2-(4-nitrophenyl)ethenyl]quinolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1314-0047
N-[5-(diethylamino)pentan-2-yl]-7-methoxy-2-[(1E)-2-(4-nitrophenyl)ethenyl]quinolin-4-amine

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

1314-0047

Molecular Formula

C27H34N4O3 (C27 H34 N4 O3)

Compound Name

N-[5-(diethylamino)pentan-2-yl]-7-methoxy-2-[(1E)-2-(4-nitrophenyl)ethenyl]quinolin-4-amine

IUPAC name

N-[5-(diethylamino)pentan-2-yl]-7-methoxy-2-[(1E)-2-(4-nitrophenyl)ethenyl]quinolin-4-amine

SMILES

CCN(CC)CCCC(C)Nc1cc(/C=C/c(cc2)ccc2[N+]([O-])=O)nc2cc(OC)ccc12

InChI

InChI=1S/C27H34N4O3/c1-5-30(6-2)17-7-8-20(3)28-26-18-22(29-27-19-24(34-4)15-16-25(26)27)12-9-21-10-13-23(14-11-21)31(32)33/h9-16,18-20H,5-8,17H2,1-4H3,(H,28,29)/t20-/m0/s1

InChI Key

LJBAIPFUPVEHGJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00807885

Chemical and Physical Properties

Saltdata

H3PO4

Molecular Weight

462.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.403

Distribution Coefficient, logD

3.348

Water Solubility, LogSw

-5.88

Polar Surface Area

62.379

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

10.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

1314-0047 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with 1314-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1314-0047?
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What is the minimum amount of 1314-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1314-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1314-0047
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1314-0047 available by request