8009-7923 Screening compound: N-(4-bromophenyl)-2-{[4-(2-chlorophenyl)-3,5-dicyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide

8009-7923 Screening compound: N-(4-bromophenyl)-2-{[4-(2-chlorophenyl)-3,5-dicyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
8009-7923 Screening compound: N-(4-bromophenyl)-2-{[4-(2-chlorophenyl)-3,5-dicyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7923
N-(4-bromophenyl)-2-{[4-(2-chlorophenyl)-3,5-dicyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide

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

8009-7923

Molecular Formula

C21H14BrClN4O2S (C21 H14 BrClN4 O2 S)

Compound Name

N-(4-bromophenyl)-2-{[4-(2-chlorophenyl)-3,5-dicyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide

IUPAC name

N-(4-bromophenyl)-2-{[4-(2-chlorophenyl)-35-dicyano-6-oxo-1456-tetrahydropyridin-2-yl]sulfanyl}acetamide

SMILES

N#CC(C(c(cccc1)c1Cl)C(C#N)=C(N1)SCC(Nc(cc2)ccc2Br)=O)C1=O

InChI

InChI=1S/C21H14BrClN4O2S/c22-12-5-7-13(8-6-12)26-18(28)11-30-21-16(10-25)19(15(9-24)20(29)27-21)14-3-1-2-4-17(14)23/h1-8,15,19H,11H2,(H,26,28)(H,27,29)

InChI Key

URRVUQKJEPGFSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.000

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-4.23

Polar Surface Area

81.178

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

14.30

8009-7923 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8009-7923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7923?
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What is the minimum amount of 8009-7923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7923
  • 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 8009-7923 available by request