8002-7122 Screening compound: 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile

8002-7122 Screening compound: 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile
8002-7122 Screening compound: 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-7122
2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4,6-diphenylpyridine-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

8002-7122

Molecular Formula

C25H16Cl2N2S (C25 H16 Cl2 N2 S)

Compound Name

2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile

IUPAC name

2-{[(34-dichlorophenyl)methyl]sulfanyl}-46-diphenylpyridine-3-carbonitrile

SMILES

N#Cc(c(SCc(cc1)cc(Cl)c1Cl)nc(-c1ccccc1)c1)c1-c1ccccc1

InChI

InChI=1S/C25H16Cl2N2S/c26-22-12-11-17(13-23(22)27)16-30-25-21(15-28)20(18-7-3-1-4-8-18)14-24(29-25)19-9-5-2-6-10-19/h1-14H,16H2

InChI Key

RQPVNTINGDYDHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00742470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.39

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

8.415

Distribution Coefficient, logD

8.415

Water Solubility, LogSw

-7.33

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

References: we are preparing a list of scientific research reports with 8002-7122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-7122?
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What is the minimum amount of 8002-7122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-7122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-7122
  • 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 8002-7122 available by request