J042-0459 Screening compound: 1-(4-chlorobenzoyl)-6-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroquinoline

J042-0459 Screening compound: 1-(4-chlorobenzoyl)-6-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroquinoline
J042-0459 Screening compound: 1-(4-chlorobenzoyl)-6-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0459
1-(4-chlorobenzoyl)-6-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroquinoline

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

J042-0459

Molecular Formula

C21H21ClN2O2 (C21 H21 ClN2 O2)

Compound Name

1-(4-chlorobenzoyl)-6-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroquinoline

IUPAC name

1-(4-chlorobenzoyl)-6-(pyrrolidine-1-carbonyl)-1234-tetrahydroquinoline

SMILES

O=C(c(cc1)cc(CCC2)c1N2C(c(cc1)ccc1Cl)=O)N1CCCC1

InChI

InChI=1S/C21H21ClN2O2/c22-18-8-5-15(6-9-18)21(26)24-13-3-4-16-14-17(7-10-19(16)24)20(25)23-11-1-2-12-23/h5-10,14H,1-4,11-13H2

InChI Key

HERQZKOQTSTRHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.649

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-4.17

Polar Surface Area

32.566

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

J042-0459 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J042-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0459?
Check Price and Availability of J042-0459, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J042-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0459
  • 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 J042-0459 available by request