C276-1591 Screening compound: cyclopentyl 4-(2,4-difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

C276-1591 Screening compound: cyclopentyl 4-(2,4-difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
C276-1591 Screening compound: cyclopentyl 4-(2,4-difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1591
cyclopentyl 4-(2,4-difluorophenyl)-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

C276-1591

Molecular Formula

C18H19F2NO3 (C18 H19 F2 NO3)

Compound Name

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

IUPAC name

cyclopentyl 4-(24-difluorophenyl)-2-methyl-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CC(NC(CC1c(ccc(F)c2)c2F)=O)=C1C(OC1CCCC1)=O

InChI

InChI=1S/C18H19F2NO3/c1-10-17(18(23)24-12-4-2-3-5-12)14(9-16(22)21-10)13-7-6-11(19)8-15(13)20/h6-8,12,14H,2-5,9H2,1H3,(H,21,22)/t14-/m0/s1

InChI Key

LOAXUQYTDAJJHD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08133449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.35

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

3.155

Distribution Coefficient, logD

2.356

Water Solubility, LogSw

-3.17

Polar Surface Area

44.889

Acid Dissociation Constant (pKa)

6.68

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

C276-1591 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 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

References: we are preparing a list of scientific research reports with C276-1591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1591?
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What is the minimum amount of C276-1591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1591
  • 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 C276-1591 available by request