J042-0312 Screening compound: 1-(3-methylbenzoyl)-N-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

J042-0312 Screening compound: 1-(3-methylbenzoyl)-N-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
J042-0312 Screening compound: 1-(3-methylbenzoyl)-N-(2-methylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0312
1-(3-methylbenzoyl)-N-(2-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

J042-0312

Molecular Formula

C25H24N2O2 (C25 H24 N2 O2)

Compound Name

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

IUPAC name

1-(3-methylbenzoyl)-N-(2-methylphenyl)-1234-tetrahydroquinoline-6-carboxamide

SMILES

Cc1cccc(C(N(CCC2)c(cc3)c2cc3C(Nc2c(C)cccc2)=O)=O)c1

InChI

InChI=1S/C25H24N2O2/c1-17-7-5-9-21(15-17)25(29)27-14-6-10-19-16-20(12-13-23(19)27)24(28)26-22-11-4-3-8-18(22)2/h3-5,7-9,11-13,15-16H,6,10,14H2,1-2H3,(H,26,28)

InChI Key

KABDTVMNDXXGCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

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

4.625

Distribution Coefficient, logD

4.624

Water Solubility, LogSw

-4.23

Polar Surface Area

37.945

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

-0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J042-0312 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 J042-0312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0312?
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What is the minimum amount of J042-0312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0312
  • 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 J042-0312 available by request