J042-0511 Screening compound: 1-(3-chlorobenzoyl)-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

J042-0511 Screening compound: 1-(3-chlorobenzoyl)-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
J042-0511 Screening compound: 1-(3-chlorobenzoyl)-N-(3-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0511
1-(3-chlorobenzoyl)-N-(3-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

J042-0511

Molecular Formula

C24H21ClN2O2 (C24 H21 ClN2 O2)

Compound Name

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

IUPAC name

1-(3-chlorobenzoyl)-N-(3-methylphenyl)-1234-tetrahydroquinoline-6-carboxamide

SMILES

Cc1cccc(NC(c(cc2)cc(CCC3)c2N3C(c2cccc(Cl)c2)=O)=O)c1

InChI

InChI=1S/C24H21ClN2O2/c1-16-5-2-9-21(13-16)26-23(28)18-10-11-22-17(14-18)7-4-12-27(22)24(29)19-6-3-8-20(25)15-19/h2-3,5-6,8-11,13-15H,4,7,12H2,1H3,(H,26,28)

InChI Key

GVRYUERSBABWCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.9

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

5.284

Distribution Coefficient, logD

5.283

Water Solubility, LogSw

-5.72

Polar Surface Area

38.642

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

J042-0511 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 J042-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0511?
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What is the minimum amount of J042-0511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0511
  • 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 J042-0511 available by request