J042-0406 Screening compound: 1-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

J042-0406 Screening compound: 1-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
J042-0406 Screening compound: 1-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0406
1-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)-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

J042-0406

Molecular Formula

C20H19ClN2O2 (C20 H19 ClN2 O2)

Compound Name

1-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

IUPAC name

1-(4-chlorobenzoyl)-N-(prop-2-en-1-yl)-1234-tetrahydroquinoline-6-carboxamide

SMILES

C=CCNC(c(cc1)cc(CCC2)c1N2C(c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C20H19ClN2O2/c1-2-11-22-19(24)16-7-10-18-15(13-16)4-3-12-23(18)20(25)14-5-8-17(21)9-6-14/h2,5-10,13H,1,3-4,11-12H2,(H,22,24)

InChI Key

FJCUCBVRDCCYPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.84

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

3.435

Distribution Coefficient, logD

3.435

Water Solubility, LogSw

-3.99

Polar Surface Area

40.078

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J042-0406 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system

References: we are preparing a list of scientific research reports with J042-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0406?
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What is the minimum amount of J042-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0406
  • 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 J042-0406 available by request