C276-1431 Screening compound: cyclopentyl 4-(2,6-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

C276-1431 Screening compound: cyclopentyl 4-(2,6-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
C276-1431 Screening compound: cyclopentyl 4-(2,6-dichlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1431
cyclopentyl 4-(2,6-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

C276-1431

Molecular Formula

C18H19Cl2NO3 (C18 H19 Cl2 NO3)

Compound Name

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

IUPAC name

cyclopentyl 4-(26-dichlorophenyl)-2-methyl-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CC(NC(CC1c(c(Cl)ccc2)c2Cl)=O)=C1C(OC1CCCC1)=O

InChI

InChI=1S/C18H19Cl2NO3/c1-10-16(18(23)24-11-5-2-3-6-11)12(9-15(22)21-10)17-13(19)7-4-8-14(17)20/h4,7-8,11-12H,2-3,5-6,9H2,1H3,(H,21,22)/t12-/m0/s1

InChI Key

ZPTIMAWRWNVKIE-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD07402507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.380

Distribution Coefficient, logD

2.714

Water Solubility, LogSw

-3.47

Polar Surface Area

44.889

Acid Dissociation Constant (pKa)

6.84

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

C276-1431 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C276-1431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1431?
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What is the minimum amount of C276-1431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1431
  • 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 C276-1431 available by request