0892-0714 Screening compound: 2-amino-6-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile

0892-0714 Screening compound: 2-amino-6-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
0892-0714 Screening compound: 2-amino-6-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0892-0714
2-amino-6-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile

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

0892-0714

Molecular Formula

C25H22N4O2S (C25 H22 N4 O2 S)

Compound Name

2-amino-6-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile

IUPAC name

2-amino-6-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-4-(4-hydroxyphenyl)pyridine-35-dicarbonitrile

SMILES

CCCCc(cc1)ccc1C(CSc(c(C#N)c1-c(cc2)ccc2O)nc(N)c1C#N)=O

InChI

InChI=1S/C25H22N4O2S/c1-2-3-4-16-5-7-17(8-6-16)22(31)15-32-25-21(14-27)23(20(13-26)24(28)29-25)18-9-11-19(30)12-10-18/h5-12,30H,2-4,15H2,1H3,(H2,28,29)

InChI Key

RELFNOLRKRNDGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00325776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.249

Distribution Coefficient, logD

5.247

Water Solubility, LogSw

-5.01

Polar Surface Area

94.116

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0892-0714 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Glucocorticoid receptors Library (4806 compounds)

Lipid Metabolism Library (9174 compounds)

PLpro Library (6343 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0892-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0892-0714?
Check Price and Availability of 0892-0714, 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 0892-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0892-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0892-0714
  • 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 0892-0714 available by request