4781-0152 Screening compound: 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

4781-0152 Screening compound: 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
4781-0152 Screening compound: 1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4781-0152
1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-N-(2,2,6,6-tetramethylpiperidin-4-yl)-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

4781-0152

Molecular Formula

C28H37N3O4 (C28 H37 N3 O4)

Compound Name

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

IUPAC name

1-(4-methoxyphenyl)-77-dimethyl-25-dioxo-N-(2266-tetramethylpiperidin-4-yl)-125678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(N(c(cc2)ccc2OC)C(C(C(NC2CC(C)(C)NC(C)(C)C2)=O)=C2)=O)=C2C1=O

InChI

InChI=1S/C28H37N3O4/c1-26(2)15-22-20(23(32)16-26)12-21(25(34)31(22)18-8-10-19(35-7)11-9-18)24(33)29-17-13-27(3,4)30-28(5,6)14-17/h8-12,17,30H,13-16H2,1-7H3,(H,29,33)

InChI Key

UCLWEKPUGQUFAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02164449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

-0.915

Water Solubility, LogSw

-3.04

Polar Surface Area

71.384

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

11.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.60

4781-0152 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4781-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4781-0152?
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What is the minimum amount of 4781-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4781-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4781-0152
  • 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 4781-0152 available by request