8002-7098 Screening compound: 4-(4-chlorophenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile

8002-7098 Screening compound: 4-(4-chlorophenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile
8002-7098 Screening compound: 4-(4-chlorophenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-7098
4-(4-chlorophenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-6-(thiophen-2-yl)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

8002-7098

Molecular Formula

C22H13ClN2OS3 (C22 H13 ClN2 OS3)

Compound Name

4-(4-chlorophenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile

IUPAC name

4-(4-chlorophenyl)-2-{[2-oxo-2-(thiophen-2-yl)ethyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile

SMILES

N#Cc(c(SCC(c1cccs1)=O)nc(-c1cccs1)c1)c1-c(cc1)ccc1Cl

InChI

InChI=1S/C22H13ClN2OS3/c23-15-7-5-14(6-8-15)16-11-18(20-3-1-9-27-20)25-22(17(16)12-24)29-13-19(26)21-4-2-10-28-21/h1-11H,13H2

InChI Key

ZHTAEUNRDGMTHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00712372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.01

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

7.075

Distribution Coefficient, logD

7.075

Water Solubility, LogSw

-6.62

Polar Surface Area

40.511

Acid Dissociation Constant (pKa)

17.40

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

8002-7098 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8002-7098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-7098?
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What is the minimum amount of 8002-7098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-7098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-7098
  • 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 8002-7098 available by request