8008-8152 Screening compound: 2-amino-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-phenylpyridine-3,5-dicarbonitrile

8008-8152 Screening compound: 2-amino-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-phenylpyridine-3,5-dicarbonitrile
8008-8152 Screening compound: 2-amino-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-phenylpyridine-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8152
2-amino-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-phenylpyridine-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

8008-8152

Molecular Formula

C21H13N5O3S (C21 H13 N5 O3 S)

Compound Name

2-amino-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-phenylpyridine-3,5-dicarbonitrile

IUPAC name

2-amino-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-phenylpyridine-35-dicarbonitrile

SMILES

Nc(nc(c(C#N)c1-c2ccccc2)SCC(c(cc2)ccc2[N+]([O-])=O)=O)c1C#N

InChI

InChI=1S/C21H13N5O3S/c22-10-16-19(14-4-2-1-3-5-14)17(11-23)21(25-20(16)24)30-12-18(27)13-6-8-15(9-7-13)26(28)29/h1-9H,12H2,(H2,24,25)

InChI Key

ZXCJIFLQFKSFPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01210280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.720

Distribution Coefficient, logD

3.720

Water Solubility, LogSw

-4.61

Polar Surface Area

109.880

Acid Dissociation Constant (pKa)

16.70

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8008-8152 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8008-8152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8152?
Check Price and Availability of 8008-8152, 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 8008-8152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8152
  • 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 8008-8152 available by request