J042-0159 Screening compound: 1-benzoyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

J042-0159 Screening compound: 1-benzoyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
J042-0159 Screening compound: 1-benzoyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0159
1-benzoyl-N-(3-methylbutyl)-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

J042-0159

Molecular Formula

C22H26N2O2 (C22 H26 N2 O2)

Compound Name

1-benzoyl-N-(3-methylbutyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

IUPAC name

1-benzoyl-N-(3-methylbutyl)-1234-tetrahydroquinoline-6-carboxamide

SMILES

CC(C)CCNC(c(cc1)cc(CCC2)c1N2C(c1ccccc1)=O)=O

InChI

InChI=1S/C22H26N2O2/c1-16(2)12-13-23-21(25)19-10-11-20-18(15-19)9-6-14-24(20)22(26)17-7-4-3-5-8-17/h3-5,7-8,10-11,15-16H,6,9,12-14H2,1-2H3,(H,23,25)

InChI Key

MDDRAWUGSQXJBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.932

Distribution Coefficient, logD

3.932

Water Solubility, LogSw

-3.97

Polar Surface Area

40.078

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

J042-0159 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with J042-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0159?
Check Price and Availability of J042-0159, 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 J042-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0159
  • 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 J042-0159 available by request