C276-1601 Screening compound: (4-methylphenyl)methyl 4-(2,3-difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

C276-1601 Screening compound: (4-methylphenyl)methyl 4-(2,3-difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
C276-1601 Screening compound: (4-methylphenyl)methyl 4-(2,3-difluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-1601
(4-methylphenyl)methyl 4-(2,3-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

C276-1601

Molecular Formula

C21H19F2NO3 (C21 H19 F2 NO3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(COC(C(C(C2)c3cccc(F)c3F)=C(C)NC2=O)=O)cc1

InChI

InChI=1S/C21H19F2NO3/c1-12-6-8-14(9-7-12)11-27-21(26)19-13(2)24-18(25)10-16(19)15-4-3-5-17(22)20(15)23/h3-9,16H,10-11H2,1-2H3,(H,24,25)/t16-/m0/s1

InChI Key

SKJDHDGZTOFJQX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD08133459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.939

Distribution Coefficient, logD

3.345

Water Solubility, LogSw

-4.08

Polar Surface Area

45.297

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

C276-1601 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 C276-1601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-1601?
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What is the minimum amount of C276-1601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-1601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-1601
  • 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 C276-1601 available by request