J042-0311 Screening compound: 1-(3-methylbenzoyl)-N-phenyl-1,2,3,4-tetrahydroquinoline-6-carboxamide

J042-0311 Screening compound: 1-(3-methylbenzoyl)-N-phenyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
J042-0311 Screening compound: 1-(3-methylbenzoyl)-N-phenyl-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0311
1-(3-methylbenzoyl)-N-phenyl-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

J042-0311

Molecular Formula

C24H22N2O2 (C24 H22 N2 O2)

Compound Name

1-(3-methylbenzoyl)-N-phenyl-1,2,3,4-tetrahydroquinoline-6-carboxamide

IUPAC name

1-(3-methylbenzoyl)-N-phenyl-1234-tetrahydroquinoline-6-carboxamide

SMILES

Cc1cccc(C(N(CCC2)c(cc3)c2cc3C(Nc2ccccc2)=O)=O)c1

InChI

InChI=1S/C24H22N2O2/c1-17-7-5-8-20(15-17)24(28)26-14-6-9-18-16-19(12-13-22(18)26)23(27)25-21-10-3-2-4-11-21/h2-5,7-8,10-13,15-16H,6,9,14H2,1H3,(H,25,27)

InChI Key

WVAVEEKRMDCRLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.440

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-4.25

Polar Surface Area

38.642

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

J042-0311 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Nucleic Acid Ligands (8311 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 J042-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0311?
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What is the minimum amount of J042-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0311
  • 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 J042-0311 available by request