J042-0492 Screening compound: 1-(3-chlorobenzoyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

J042-0492 Screening compound: 1-(3-chlorobenzoyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
J042-0492 Screening compound: 1-(3-chlorobenzoyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0492
1-(3-chlorobenzoyl)-N-(2-methylpropyl)-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

J042-0492

Molecular Formula

C21H23ClN2O2 (C21 H23 ClN2 O2)

Compound Name

1-(3-chlorobenzoyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

IUPAC name

1-(3-chlorobenzoyl)-N-(2-methylpropyl)-1234-tetrahydroquinoline-6-carboxamide

SMILES

CC(C)CNC(c(cc1)cc(CCC2)c1N2C(c1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C21H23ClN2O2/c1-14(2)13-23-20(25)16-8-9-19-15(11-16)6-4-10-24(19)21(26)17-5-3-7-18(22)12-17/h3,5,7-9,11-12,14H,4,6,10,13H2,1-2H3,(H,23,25)

InChI Key

IGZRZJQLNDMHIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.175

Distribution Coefficient, logD

4.175

Water Solubility, LogSw

-4.48

Polar Surface Area

40.236

Acid Dissociation Constant (pKa)

13.87

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

J042-0492 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J042-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0492?
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What is the minimum amount of J042-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0492
  • 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 J042-0492 available by request