5750-2234 Screening compound: 2-(pyridin-2-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

5750-2234 Screening compound: 2-(pyridin-2-ylsulfanyl)-1-(2,2,4-trimethyl-4-phenyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
5750-2234 Screening compound: 2-(pyridin-2-ylsulfanyl)-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 5750-2234
2-(pyridin-2-ylsulfanyl)-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

5750-2234

Molecular Formula

C25H26N2OS (C25 H26 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(CC1(C)c2ccccc2)N(C(CSc2ncccc2)=O)c2c1cccc2

InChI

InChI=1S/C25H26N2OS/c1-24(2)18-25(3,19-11-5-4-6-12-19)20-13-7-8-14-21(20)27(24)23(28)17-29-22-15-9-10-16-26-22/h4-16H,17-18H2,1-3H3/t25-/m0/s1

InChI Key

GKKCNCATVZMZJI-VWLOTQADSA-N

MDL Number (MFCD)

MFCD03009894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.945

Distribution Coefficient, logD

4.945

Water Solubility, LogSw

-4.76

Polar Surface Area

21.934

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

5750-2234 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5750-2234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-2234?
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What is the minimum amount of 5750-2234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-2234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-2234
  • 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 5750-2234 available by request