J042-0355 Screening compound: N-(2,5-dimethoxyphenyl)-1-(3-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

J042-0355 Screening compound: N-(2,5-dimethoxyphenyl)-1-(3-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
J042-0355 Screening compound: N-(2,5-dimethoxyphenyl)-1-(3-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0355
N-(2,5-dimethoxyphenyl)-1-(3-methylbenzoyl)-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

J042-0355

Molecular Formula

C26H26N2O4 (C26 H26 N2 O4)

Compound Name

N-(2,5-dimethoxyphenyl)-1-(3-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

IUPAC name

N-(25-dimethoxyphenyl)-1-(3-methylbenzoyl)-1234-tetrahydroquinoline-6-carboxamide

SMILES

Cc1cccc(C(N(CCC2)c(cc3)c2cc3C(Nc(cc(cc2)OC)c2OC)=O)=O)c1

InChI

InChI=1S/C26H26N2O4/c1-17-6-4-7-20(14-17)26(30)28-13-5-8-18-15-19(9-11-23(18)28)25(29)27-22-16-21(31-2)10-12-24(22)32-3/h4,6-7,9-12,14-16H,5,8,13H2,1-3H3,(H,27,29)

InChI Key

MPEUJBIWNSLIRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.514

Distribution Coefficient, logD

4.425

Water Solubility, LogSw

-4.32

Polar Surface Area

53.119

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

J042-0355 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 J042-0355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0355?
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What is the minimum amount of J042-0355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0355
  • 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 J042-0355 available by request