0892-0761 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile

0892-0761 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
0892-0761 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0892-0761
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-bis(4-methoxyphenyl)pyridine-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

0892-0761

Molecular Formula

C28H21BrN2O3S (C28 H21 BrN2 O3 S)

Compound Name

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile

IUPAC name

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-46-bis(4-methoxyphenyl)pyridine-3-carbonitrile

SMILES

COc(cc1)ccc1-c(cc(-c(cc1)ccc1OC)nc1SCC(c(cc2)ccc2Br)=O)c1C#N

InChI

InChI=1S/C28H21BrN2O3S/c1-33-22-11-5-18(6-12-22)24-15-26(19-7-13-23(34-2)14-8-19)31-28(25(24)16-30)35-17-27(32)20-3-9-21(29)10-4-20/h3-15H,17H2,1-2H3

InChI Key

PYDYSKSKXOXCLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00315776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.632

Distribution Coefficient, logD

7.632

Water Solubility, LogSw

-5.75

Polar Surface Area

53.562

Acid Dissociation Constant (pKa)

18.20

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

References: we are preparing a list of scientific research reports with 0892-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0892-0761?
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What is the minimum amount of 0892-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0892-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0892-0761
  • 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 0892-0761 available by request