J042-0011 Screening compound: 1-acetyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

J042-0011 Screening compound: 1-acetyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
J042-0011 Screening compound: 1-acetyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0011
1-acetyl-N-(4-methylphenyl)-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

J042-0011

Molecular Formula

C19H20N2O2 (C19 H20 N2 O2)

Compound Name

1-acetyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

IUPAC name

1-acetyl-N-(4-methylphenyl)-1234-tetrahydroquinoline-6-carboxamide

SMILES

CC(N(CCC1)c(cc2)c1cc2C(Nc1ccc(C)cc1)=O)=O

InChI

InChI=1S/C19H20N2O2/c1-13-5-8-17(9-6-13)20-19(23)16-7-10-18-15(12-16)4-3-11-21(18)14(2)22/h5-10,12H,3-4,11H2,1-2H3,(H,20,23)

InChI Key

IHMCJMFTOGNRNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.198

Distribution Coefficient, logD

3.197

Water Solubility, LogSw

-3.47

Polar Surface Area

39.382

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

J042-0011 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Nucleic Acid Ligands (8311 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J042-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0011?
Check Price and Availability of J042-0011, 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 J042-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0011
  • 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 J042-0011 available by request