4379-0525 Screening compound: 2-({3-[(4-chlorophenyl)methanesulfonyl]-2-hydroxypropyl}sulfanyl)-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile

4379-0525 Screening compound: 2-({3-[(4-chlorophenyl)methanesulfonyl]-2-hydroxypropyl}sulfanyl)-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile
4379-0525 Screening compound: 2-({3-[(4-chlorophenyl)methanesulfonyl]-2-hydroxypropyl}sulfanyl)-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4379-0525
2-({3-[(4-chlorophenyl)methanesulfonyl]-2-hydroxypropyl}sulfanyl)-4-phenyl-6-(thiophen-2-yl)pyridine-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

4379-0525

Molecular Formula

C26H21ClN2O3S3 (C26 H21 ClN2 O3 S3)

Compound Name

2-({3-[(4-chlorophenyl)methanesulfonyl]-2-hydroxypropyl}sulfanyl)-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile

IUPAC name

2-({3-[(4-chlorophenyl)methanesulfonyl]-2-hydroxypropyl}sulfanyl)-4-phenyl-6-(thiophen-2-yl)pyridine-3-carbonitrile

SMILES

N#Cc(c(SCC(CS(Cc(cc1)ccc1Cl)(=O)=O)O)nc(-c1cccs1)c1)c1-c1ccccc1

InChI

InChI=1S/C26H21ClN2O3S3/c27-20-10-8-18(9-11-20)16-35(31,32)17-21(30)15-34-26-23(14-28)22(19-5-2-1-3-6-19)13-24(29-26)25-7-4-12-33-25/h1-13,21,30H,15-17H2/t21-/m0/s1

InChI Key

PCUNICMRNNUFNE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02973277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

541.12

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

5.791

Distribution Coefficient, logD

5.791

Water Solubility, LogSw

-5.98

Polar Surface Area

71.165

Acid Dissociation Constant (pKa)

17.08

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

4379-0525 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4379-0525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4379-0525?
Check Price and Availability of 4379-0525, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4379-0525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4379-0525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4379-0525
  • 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 4379-0525 available by request