J042-0858 Screening compound: N-(5-chloro-2-methoxyphenyl)-1-(2-fluorobenzoyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

J042-0858 Screening compound: N-(5-chloro-2-methoxyphenyl)-1-(2-fluorobenzoyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
J042-0858 Screening compound: N-(5-chloro-2-methoxyphenyl)-1-(2-fluorobenzoyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0858
N-(5-chloro-2-methoxyphenyl)-1-(2-fluorobenzoyl)-1,2,3,4-tetrahydroquinoline-6-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

J042-0858

Molecular Formula

C24H20ClFN2O3 (C24 H20 ClFN2 O3)

Compound Name

N-(5-chloro-2-methoxyphenyl)-1-(2-fluorobenzoyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-1-(2-fluorobenzoyl)-1234-tetrahydroquinoline-6-carboxamide

SMILES

COc(ccc(Cl)c1)c1NC(c(cc1)cc(CCC2)c1N2C(c(cccc1)c1F)=O)=O

InChI

InChI=1S/C24H20ClFN2O3/c1-31-22-11-9-17(25)14-20(22)27-23(29)16-8-10-21-15(13-16)5-4-12-28(21)24(30)18-6-2-3-7-19(18)26/h2-3,6-11,13-14H,4-5,12H2,1H3,(H,27,29)

InChI Key

UDKNSVYSFAUZES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.978

Distribution Coefficient, logD

4.532

Water Solubility, LogSw

-4.92

Polar Surface Area

45.575

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

J042-0858 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Nucleic Acid Ligands (8311 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J042-0858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0858?
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What is the minimum amount of J042-0858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0858
  • 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 J042-0858 available by request