8001-1190 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile

8001-1190 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile
8001-1190 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4,6-diphenylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-1190
2-{[2-(4-bromophenyl)-2-oxoethyl]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

8001-1190

Molecular Formula

C26H17BrN2OS (C26 H17 BrN2 OS)

Compound Name

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

IUPAC name

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-46-diphenylpyridine-3-carbonitrile

SMILES

N#Cc(c(SCC(c(cc1)ccc1Br)=O)nc(-c1ccccc1)c1)c1-c1ccccc1

InChI

InChI=1S/C26H17BrN2OS/c27-21-13-11-20(12-14-21)25(30)17-31-26-23(16-28)22(18-7-3-1-4-8-18)15-24(29-26)19-9-5-2-6-10-19/h1-15H,17H2

InChI Key

VVASDPAWQWPOIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00486748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.457

Distribution Coefficient, logD

7.457

Water Solubility, LogSw

-6.21

Polar Surface Area

38.474

Acid Dissociation Constant (pKa)

18.20

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

References: we are preparing a list of scientific research reports with 8001-1190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-1190?
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What is the minimum amount of 8001-1190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-1190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-1190
  • 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 8001-1190 available by request