1850-0008 Screening compound: 6-(4-chlorophenyl)-2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}pyridine-3-carbonitrile

1850-0008 Screening compound: 6-(4-chlorophenyl)-2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}pyridine-3-carbonitrile
1850-0008 Screening compound: 6-(4-chlorophenyl)-2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1850-0008
6-(4-chlorophenyl)-2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}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

1850-0008

Molecular Formula

C23H13ClN2O3S (C23 H13 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

N#Cc(ccc(-c(cc1)ccc1Cl)n1)c1SCC(C1=Cc(cccc2)c2OC1=O)=O

InChI

InChI=1S/C23H13ClN2O3S/c24-17-8-5-14(6-9-17)19-10-7-16(12-25)22(26-19)30-13-20(27)18-11-15-3-1-2-4-21(15)29-23(18)28/h1-11H,13H2

InChI Key

DSVSOYJJQDLSFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00838876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.315

Distribution Coefficient, logD

5.315

Water Solubility, LogSw

-5.95

Polar Surface Area

59.667

Acid Dissociation Constant (pKa)

19.69

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

1850-0008 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1850-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1850-0008?
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What is the minimum amount of 1850-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1850-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1850-0008
  • 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 1850-0008 available by request