2293-3123 Screening compound: 2-(benzylsulfanyl)-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile

2293-3123 Screening compound: 2-(benzylsulfanyl)-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2293-3123 Screening compound: 2-(benzylsulfanyl)-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2293-3123
2-(benzylsulfanyl)-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-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

2293-3123

Molecular Formula

C19H15ClN2OS (C19 H15 ClN2 OS)

Compound Name

2-(benzylsulfanyl)-4-(4-chlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile

IUPAC name

2-(benzylsulfanyl)-4-(4-chlorophenyl)-6-oxo-1456-tetrahydropyridine-3-carbonitrile

SMILES

N#CC(C(CC(N1)=O)c(cc2)ccc2Cl)=C1SCc1ccccc1

InChI

InChI=1S/C19H15ClN2OS/c20-15-8-6-14(7-9-15)16-10-18(23)22-19(17(16)11-21)24-12-13-4-2-1-3-5-13/h1-9,16H,10,12H2,(H,22,23)/t16-/m0/s1

InChI Key

VCSMZMACBQOFBA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00812625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.822

Distribution Coefficient, logD

3.788

Water Solubility, LogSw

-4.77

Polar Surface Area

40.916

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

2293-3123 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2293-3123 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2293-3123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2293-3123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2293-3123
  • 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 2293-3123 available by request