3535-0114 Screening compound: 2-(4-methylpiperidin-1-yl)-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

3535-0114 Screening compound: 2-(4-methylpiperidin-1-yl)-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
3535-0114 Screening compound: 2-(4-methylpiperidin-1-yl)-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3535-0114
2-(4-methylpiperidin-1-yl)-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

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

3535-0114

Molecular Formula

C26H34N2O (C26 H34 N2 O)

Compound Name

2-(4-methylpiperidin-1-yl)-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-(4-methylpiperidin-1-yl)-1-(224-trimethyl-4-phenyl-1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

CC1CCN(CC(N(C(C)(C)CC2(C)c3ccccc3)c3c2cccc3)=O)CC1

InChI

InChI=1S/C26H34N2O/c1-20-14-16-27(17-15-20)18-24(29)28-23-13-9-8-12-22(23)26(4,19-25(28,2)3)21-10-6-5-7-11-21/h5-13,20H,14-19H2,1-4H3/t26-/m0/s1

InChI Key

JXLFFAAQUYVVSV-SANMLTNESA-N

MDL Number (MFCD)

MFCD01946676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.57

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.852

Distribution Coefficient, logD

4.662

Water Solubility, LogSw

-4.58

Polar Surface Area

17.529

Acid Dissociation Constant (pKa)

24.65

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

3535-0114 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3535-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3535-0114?
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What is the minimum amount of 3535-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3535-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3535-0114
  • 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 3535-0114 available by request