C276-1119 Screening compound: 2-(methylsulfanyl)ethyl 4-(2-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

C276-1119 Screening compound: 2-(methylsulfanyl)ethyl 4-(2-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
C276-1119 Screening compound: 2-(methylsulfanyl)ethyl 4-(2-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1119
2-(methylsulfanyl)ethyl 4-(2-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

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

C276-1119

Molecular Formula

C16H18ClNO3S (C16 H18 ClNO3 S)

Compound Name

2-(methylsulfanyl)ethyl 4-(2-chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

IUPAC name

2-(methylsulfanyl)ethyl 4-(2-chlorophenyl)-2-methyl-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CC(NC(CC1c(cccc2)c2Cl)=O)=C1C(OCCSC)=O

InChI

InChI=1S/C16H18ClNO3S/c1-10-15(16(20)21-7-8-22-2)12(9-14(19)18-10)11-5-3-4-6-13(11)17/h3-6,12H,7-9H2,1-2H3,(H,18,19)/t12-/m0/s1

InChI Key

QJUZRBNRHIDFRU-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD06759562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.744

Distribution Coefficient, logD

1.945

Water Solubility, LogSw

-3.24

Polar Surface Area

45.487

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

C276-1119 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C276-1119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1119?
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What is the minimum amount of C276-1119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1119
  • 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 C276-1119 available by request