3456-1981 Screening compound: 1-[4-(4-chlorophenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one

3456-1981 Screening compound: 1-[4-(4-chlorophenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one
3456-1981 Screening compound: 1-[4-(4-chlorophenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-1981
1-[4-(4-chlorophenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]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

3456-1981

Molecular Formula

C26H28ClN3OS (C26 H28 ClN3 OS)

Compound Name

1-[4-(4-chlorophenyl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one

IUPAC name

1-[4-(4-chlorophenyl)-224-trimethyl-1234-tetrahydroquinolin-1-yl]-2-[(46-dimethylpyrimidin-2-yl)sulfanyl]ethan-1-one

SMILES

CC(C)(CC1(C)c(cc2)ccc2Cl)N(C(CSc2nc(C)cc(C)n2)=O)c2c1cccc2

InChI

InChI=1S/C26H28ClN3OS/c1-17-14-18(2)29-24(28-17)32-15-23(31)30-22-9-7-6-8-21(22)26(5,16-25(30,3)4)19-10-12-20(27)13-11-19/h6-14H,15-16H2,1-5H3/t26-/m0/s1

InChI Key

JQLRLMDXTDGUQJ-SANMLTNESA-N

MDL Number (MFCD)

MFCD01953361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.05

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.788

Distribution Coefficient, logD

5.788

Water Solubility, LogSw

-5.88

Polar Surface Area

30.431

Acid Dissociation Constant (pKa)

17.42

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

3456-1981 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3456-1981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-1981?
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What is the minimum amount of 3456-1981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-1981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-1981
  • 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 3456-1981 available by request