J042-0212 Screening compound: N-(2-ethylphenyl)-1-(4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

J042-0212 Screening compound: N-(2-ethylphenyl)-1-(4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
J042-0212 Screening compound: N-(2-ethylphenyl)-1-(4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0212
N-(2-ethylphenyl)-1-(4-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

J042-0212

Molecular Formula

C26H26N2O2 (C26 H26 N2 O2)

Compound Name

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

IUPAC name

N-(2-ethylphenyl)-1-(4-methylbenzoyl)-1234-tetrahydroquinoline-6-carboxamide

SMILES

CCc(cccc1)c1NC(c(cc1)cc(CCC2)c1N2C(c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C26H26N2O2/c1-3-19-7-4-5-9-23(19)27-25(29)22-14-15-24-21(17-22)8-6-16-28(24)26(30)20-12-10-18(2)11-13-20/h4-5,7,9-15,17H,3,6,8,16H2,1-2H3,(H,27,29)

InChI Key

GHXGMINVQPJRIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.466

Distribution Coefficient, logD

5.466

Water Solubility, LogSw

-5.28

Polar Surface Area

37.945

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

J042-0212 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with J042-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0212?
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What is the minimum amount of J042-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0212
  • 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 J042-0212 available by request