J042-0211 Screening compound: N-(3,5-dimethylphenyl)-1-(4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide

J042-0211 Screening compound: N-(3,5-dimethylphenyl)-1-(4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
J042-0211 Screening compound: N-(3,5-dimethylphenyl)-1-(4-methylbenzoyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J042-0211
N-(3,5-dimethylphenyl)-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

J042-0211

Molecular Formula

C26H26N2O2 (C26 H26 N2 O2)

Compound Name

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

IUPAC name

N-(35-dimethylphenyl)-1-(4-methylbenzoyl)-1234-tetrahydroquinoline-6-carboxamide

SMILES

Cc(cc1)ccc1C(N(CCC1)c(cc2)c1cc2C(Nc1cc(C)cc(C)c1)=O)=O

InChI

InChI=1S/C26H26N2O2/c1-17-6-8-20(9-7-17)26(30)28-12-4-5-21-16-22(10-11-24(21)28)25(29)27-23-14-18(2)13-19(3)15-23/h6-11,13-16H,4-5,12H2,1-3H3,(H,27,29)

InChI Key

YYXDYWUUEUOJHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27221864

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

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.461

Distribution Coefficient, logD

5.461

Water Solubility, LogSw

-5.25

Polar Surface Area

38.642

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

J042-0211 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with J042-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J042-0211?
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What is the minimum amount of J042-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J042-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J042-0211
  • 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 J042-0211 available by request