8017-4164 Screening compound: 7,7-dimethyl-2,5-dioxo-1-phenyl-N~3~-(2,2,6,6-tetramethyl-4-piperidyl)-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide

8017-4164 Screening compound: 7,7-dimethyl-2,5-dioxo-1-phenyl-N~3~-(2,2,6,6-tetramethyl-4-piperidyl)-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide
8017-4164 Screening compound: 7,7-dimethyl-2,5-dioxo-1-phenyl-N~3~-(2,2,6,6-tetramethyl-4-piperidyl)-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4164
7,7-dimethyl-2,5-dioxo-1-phenyl-N~3~-(2,2,6,6-tetramethyl-4-piperidyl)-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide

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

8017-4164

Molecular Formula

C27H35N3O3 (C27 H35 N3 O3)

Compound Name

7,7-dimethyl-2,5-dioxo-1-phenyl-N~3~-(2,2,6,6-tetramethyl-4-piperidyl)-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide

IUPAC name

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

SMILES

CC(C)(C1)CC(N(c2ccccc2)C(C(C(NC2CC(C)(C)NC(C)(C)C2)=O)=C2)=O)=C2C1=O

InChI

InChI=1S/C27H35N3O3/c1-25(2)15-21-19(22(31)16-25)12-20(24(33)30(21)18-10-8-7-9-11-18)23(32)28-17-13-26(3,4)29-27(5,6)14-17/h7-12,17,29H,13-16H2,1-6H3,(H,28,32)

InChI Key

XWEOILYLVFWUFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02905598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.496

Distribution Coefficient, logD

-1.019

Water Solubility, LogSw

-2.80

Polar Surface Area

63.840

Acid Dissociation Constant (pKa)

10.25

Base Dissociation Constant (pKb)

11.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.85

8017-4164 in Drug Discovery

Included in Screening Libraries

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 8017-4164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4164?
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What is the minimum amount of 8017-4164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4164
  • 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 8017-4164 available by request