8006-4414 Screening compound: 6-(2-chlorophenyl)-2-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-phenylpyridine-3-carbonitrile

8006-4414 Screening compound: 6-(2-chlorophenyl)-2-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-phenylpyridine-3-carbonitrile
8006-4414 Screening compound: 6-(2-chlorophenyl)-2-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-phenylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4414
6-(2-chlorophenyl)-2-{[(3,4-difluorophenyl)methyl]sulfanyl}-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

8006-4414

Molecular Formula

C25H15ClF2N2S (C25 H15 ClF2 N2 S)

Compound Name

6-(2-chlorophenyl)-2-{[(3,4-difluorophenyl)methyl]sulfanyl}-4-phenylpyridine-3-carbonitrile

IUPAC name

6-(2-chlorophenyl)-2-{[(34-difluorophenyl)methyl]sulfanyl}-4-phenylpyridine-3-carbonitrile

SMILES

N#Cc(c(-c1ccccc1)cc(-c(cccc1)c1Cl)n1)c1SCc(cc1)cc(F)c1F

InChI

InChI=1S/C25H15ClF2N2S/c26-21-9-5-4-8-18(21)24-13-19(17-6-2-1-3-7-17)20(14-29)25(30-24)31-15-16-10-11-22(27)23(28)12-16/h1-13H,15H2

InChI Key

ZQWKRFLQEMOOQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.649

Distribution Coefficient, logD

7.649

Water Solubility, LogSw

-7.03

Polar Surface Area

25.227

Acid Dissociation Constant (pKa)

24.85

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

8006-4414 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-4414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4414?
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What is the minimum amount of 8006-4414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4414
  • 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 8006-4414 available by request