4378-0489 Screening compound: 2-[(2-hydroxy-3-phenylmethanesulfonylpropyl)sulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile

4378-0489 Screening compound: 2-[(2-hydroxy-3-phenylmethanesulfonylpropyl)sulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile
4378-0489 Screening compound: 2-[(2-hydroxy-3-phenylmethanesulfonylpropyl)sulfanyl]-6-(4-methoxyphenyl)-4-phenylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4378-0489
2-[(2-hydroxy-3-phenylmethanesulfonylpropyl)sulfanyl]-6-(4-methoxyphenyl)-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

4378-0489

Molecular Formula

C29H26N2O4S2 (C29 H26 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c(nc1SCC(CS(Cc2ccccc2)(=O)=O)O)cc(-c2ccccc2)c1C#N

InChI

InChI=1S/C29H26N2O4S2/c1-35-25-14-12-23(13-15-25)28-16-26(22-10-6-3-7-11-22)27(17-30)29(31-28)36-18-24(32)20-37(33,34)19-21-8-4-2-5-9-21/h2-16,24,32H,18-20H2,1H3/t24-/m0/s1

InChI Key

KZQYYCVEQUPZLC-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02973249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.534

Distribution Coefficient, logD

5.534

Water Solubility, LogSw

-5.64

Polar Surface Area

77.691

Acid Dissociation Constant (pKa)

17.08

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

4378-0489 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CORONAVIRUS Library (20774 compounds)

Human Proteases Annotated Library (2868 compounds)

PLpro Library (6343 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4378-0489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4378-0489?
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What is the minimum amount of 4378-0489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4378-0489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4378-0489
  • 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 4378-0489 available by request