J042-0512 Screening compound: 1-(3-chlorobenzoyl)-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

J042-0512 Screening compound: 1-(3-chlorobenzoyl)-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
J042-0512 Screening compound: 1-(3-chlorobenzoyl)-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0512
1-(3-chlorobenzoyl)-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

J042-0512

Molecular Formula

C24H21ClN2O2 (C24 H21 ClN2 O2)

Compound Name

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

IUPAC name

1-(3-chlorobenzoyl)-N-(4-methylphenyl)-1234-tetrahydroquinoline-6-carboxamide

SMILES

Cc(cc1)ccc1NC(c(cc1)cc(CCC2)c1N2C(c1cccc(Cl)c1)=O)=O

InChI

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

InChI Key

XSBMEUIIKWHJIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27222029

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

5.347

Distribution Coefficient, logD

5.347

Water Solubility, LogSw

-5.78

Polar Surface Area

38.642

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

J042-0512 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J042-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0512?
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What is the minimum amount of J042-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0512
  • 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 J042-0512 available by request