4379-0504 Screening compound: 6-(4-methoxyphenyl)-2-[(2-oxocyclohexyl)sulfanyl]-4-phenylpyridine-3-carbonitrile

4379-0504 Screening compound: 6-(4-methoxyphenyl)-2-[(2-oxocyclohexyl)sulfanyl]-4-phenylpyridine-3-carbonitrile
4379-0504 Screening compound: 6-(4-methoxyphenyl)-2-[(2-oxocyclohexyl)sulfanyl]-4-phenylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4379-0504
6-(4-methoxyphenyl)-2-[(2-oxocyclohexyl)sulfanyl]-4-phenylpyridine-3-carbonitrile

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

4379-0504

Molecular Formula

C25H22N2O2S (C25 H22 N2 O2 S)

Compound Name

6-(4-methoxyphenyl)-2-[(2-oxocyclohexyl)sulfanyl]-4-phenylpyridine-3-carbonitrile

IUPAC name

6-(4-methoxyphenyl)-2-[(2-oxocyclohexyl)sulfanyl]-4-phenylpyridine-3-carbonitrile

SMILES

COc(cc1)ccc1-c(nc1SC(CCCC2)C2=O)cc(-c2ccccc2)c1C#N

InChI

InChI=1S/C25H22N2O2S/c1-29-19-13-11-18(12-14-19)22-15-20(17-7-3-2-4-8-17)21(16-26)25(27-22)30-24-10-6-5-9-23(24)28/h2-4,7-8,11-15,24H,5-6,9-10H2,1H3/t24-/m0/s1

InChI Key

QWPWOTKXAAPGME-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02973264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.336

Distribution Coefficient, logD

6.336

Water Solubility, LogSw

-5.58

Polar Surface Area

46.211

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

4379-0504 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4379-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4379-0504?
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What is the minimum amount of 4379-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4379-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4379-0504
  • 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 4379-0504 available by request