8017-5701 Screening compound: N~4~-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-oxo-1,2,3,4-tetrahydro-4-quinolinecarboxamide

8017-5701 Screening compound: N~4~-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-oxo-1,2,3,4-tetrahydro-4-quinolinecarboxamide
8017-5701 Screening compound: N~4~-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-oxo-1,2,3,4-tetrahydro-4-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5701
N~4~-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-oxo-1,2,3,4-tetrahydro-4-quinolinecarboxamide

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

8017-5701

Molecular Formula

C18H16ClFN2O4 (C18 H16 ClFN2 O4)

Compound Name

N~4~-(3-chloro-4-fluorophenyl)-6,7-dimethoxy-2-oxo-1,2,3,4-tetrahydro-4-quinolinecarboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-67-dimethoxy-2-oxo-1234-tetrahydroquinoline-4-carboxamide

SMILES

COc(c(OC)c1)cc(C(C2)C(Nc(cc3)cc(Cl)c3F)=O)c1NC2=O

InChI

InChI=1S/C18H16ClFN2O4/c1-25-15-6-10-11(7-17(23)22-14(10)8-16(15)26-2)18(24)21-9-3-4-13(20)12(19)5-9/h3-6,8,11H,7H2,1-2H3,(H,21,24)(H,22,23)/t11-/m1/s1

InChI Key

TXQUWQHQJWIHGM-LLVKDONJSA-N

MDL Number (MFCD)

MFCD06616588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.214

Distribution Coefficient, logD

2.128

Water Solubility, LogSw

-3.17

Polar Surface Area

63.411

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

8017-5701 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8017-5701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5701?
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What is the minimum amount of 8017-5701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5701
  • 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 8017-5701 available by request