4378-0389 Screening compound: 2-[(2-hydroxy-3-phenylmethanesulfonylpropyl)sulfanyl]-4,6-diphenylpyridine-3-carbonitrile

4378-0389 Screening compound: 2-[(2-hydroxy-3-phenylmethanesulfonylpropyl)sulfanyl]-4,6-diphenylpyridine-3-carbonitrile
4378-0389 Screening compound: 2-[(2-hydroxy-3-phenylmethanesulfonylpropyl)sulfanyl]-4,6-diphenylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4378-0389
2-[(2-hydroxy-3-phenylmethanesulfonylpropyl)sulfanyl]-4,6-diphenylpyridine-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

4378-0389

Molecular Formula

C28H24N2O3S2 (C28 H24 N2 O3 S2)

Compound Name

2-[(2-hydroxy-3-phenylmethanesulfonylpropyl)sulfanyl]-4,6-diphenylpyridine-3-carbonitrile

IUPAC name

2-[(2-hydroxy-3-phenylmethanesulfonylpropyl)sulfanyl]-46-diphenylpyridine-3-carbonitrile

SMILES

N#Cc(c(SCC(CS(Cc1ccccc1)(=O)=O)O)nc(-c1ccccc1)c1)c1-c1ccccc1

InChI

InChI=1S/C28H24N2O3S2/c29-17-26-25(22-12-6-2-7-13-22)16-27(23-14-8-3-9-15-23)30-28(26)34-18-24(31)20-35(32,33)19-21-10-4-1-5-11-21/h1-16,24,31H,18-20H2/t24-/m0/s1

InChI Key

DKSWGIMMIOPYGQ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01450965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.447

Distribution Coefficient, logD

5.447

Water Solubility, LogSw

-5.84

Polar Surface Area

70.147

Acid Dissociation Constant (pKa)

17.08

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

4378-0389 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

PLpro Library (6343 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4378-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4378-0389?
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What is the minimum amount of 4378-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4378-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4378-0389
  • 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 4378-0389 available by request