4781-0142 Screening compound: 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N-(2-phenylethyl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

4781-0142 Screening compound: 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N-(2-phenylethyl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
4781-0142 Screening compound: 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N-(2-phenylethyl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4781-0142
1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N-(2-phenylethyl)-1,2,5,6,7,8-hexahydroquinoline-3-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

4781-0142

Molecular Formula

C27H28N2O4 (C27 H28 N2 O4)

Compound Name

1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N-(2-phenylethyl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

1-(4-methoxyphenyl)-77-dimethyl-25-dioxo-N-(2-phenylethyl)-125678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(N(c(cc2)ccc2OC)C(C(C(NCCc2ccccc2)=O)=C2)=O)=C2C1=O

InChI

InChI=1S/C27H28N2O4/c1-27(2)16-23-21(24(30)17-27)15-22(25(31)28-14-13-18-7-5-4-6-8-18)26(32)29(23)19-9-11-20(33-3)12-10-19/h4-12,15H,13-14,16-17H2,1-3H3,(H,28,31)

InChI Key

AZFFXRZMMCJRRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02905609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.999

Distribution Coefficient, logD

2.999

Water Solubility, LogSw

-3.60

Polar Surface Area

60.378

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

4781-0142 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4781-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4781-0142?
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What is the minimum amount of 4781-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4781-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4781-0142
  • 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 4781-0142 available by request