0892-0539 Screening compound: 2-[(4-{[3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}butyl)sulfanyl]-4-(2-methoxyphenyl)-6-phenylpyridine-3-carbonitrile

0892-0539 Screening compound: 2-[(4-{[3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}butyl)sulfanyl]-4-(2-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
0892-0539 Screening compound: 2-[(4-{[3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}butyl)sulfanyl]-4-(2-methoxyphenyl)-6-phenylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0892-0539
2-[(4-{[3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}butyl)sulfanyl]-4-(2-methoxyphenyl)-6-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

0892-0539

Molecular Formula

C42H34N4O2S2 (C42 H34 N4 O2 S2)

Compound Name

2-[(4-{[3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}butyl)sulfanyl]-4-(2-methoxyphenyl)-6-phenylpyridine-3-carbonitrile

IUPAC name

2-[(4-{[3-cyano-4-(2-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}butyl)sulfanyl]-4-(2-methoxyphenyl)-6-phenylpyridine-3-carbonitrile

SMILES

COc(cccc1)c1-c(cc(-c1ccccc1)nc1SCCCCSc2nc(-c3ccccc3)cc(-c(cccc3)c3OC)c2C#N)c1C#N

InChI

InChI=1S/C42H34N4O2S2/c1-47-39-21-11-9-19-31(39)33-25-37(29-15-5-3-6-16-29)45-41(35(33)27-43)49-23-13-14-24-50-42-36(28-44)34(32-20-10-12-22-40(32)48-2)26-38(46-42)30-17-7-4-8-18-30/h3-12,15-22,25-26H,13-14,23-24H2,1-2H3

InChI Key

ACSMVZTVZKOALB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00304330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

690.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

11.060

Distribution Coefficient, logD

11.060

Water Solubility, LogSw

-5.96

Polar Surface Area

65.748

Acid Dissociation Constant (pKa)

27.30

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 0892-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0892-0539?
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What is the minimum amount of 0892-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0892-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0892-0539
  • 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 0892-0539 available by request