C276-0672 Screening compound: methyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

C276-0672 Screening compound: methyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
C276-0672 Screening compound: methyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0672
methyl 4-(2,3-dichlorophenyl)-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

C276-0672

Molecular Formula

C14H13Cl2NO3 (C14 H13 Cl2 NO3)

Compound Name

methyl 4-(2,3-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

IUPAC name

methyl 4-(23-dichlorophenyl)-2-methyl-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CC(NC(CC1c2cccc(Cl)c2Cl)=O)=C1C(OC)=O

InChI

InChI=1S/C14H13Cl2NO3/c1-7-12(14(19)20-2)9(6-11(18)17-7)8-4-3-5-10(15)13(8)16/h3-5,9H,6H2,1-2H3,(H,17,18)/t9-/m0/s1

InChI Key

UVFORJMIIAHYKA-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00981213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.17

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.906

Distribution Coefficient, logD

2.107

Water Solubility, LogSw

-3.44

Polar Surface Area

45.613

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C276-0672 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C276-0672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0672?
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What is the minimum amount of C276-0672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0672
  • 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 C276-0672 available by request