1852-0291 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-phenylpyridine-3-carbonitrile

1852-0291 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-phenylpyridine-3-carbonitrile
1852-0291 Screening compound: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-phenylpyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1852-0291
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-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

1852-0291

Molecular Formula

C20H13ClN2OS (C20 H13 ClN2 OS)

Compound Name

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-phenylpyridine-3-carbonitrile

IUPAC name

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-phenylpyridine-3-carbonitrile

SMILES

N#Cc1ccc(-c2ccccc2)nc1SCC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C20H13ClN2OS/c21-17-9-6-15(7-10-17)19(24)13-25-20-16(12-22)8-11-18(23-20)14-4-2-1-3-5-14/h1-11H,13H2

InChI Key

RWIABTMUMVTNLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00475820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.326

Distribution Coefficient, logD

5.326

Water Solubility, LogSw

-5.94

Polar Surface Area

38.746

Acid Dissociation Constant (pKa)

18.20

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with 1852-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1852-0291?
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What is the minimum amount of 1852-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1852-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1852-0291
  • 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 1852-0291 available by request