2827-4573 Screening compound: methyl 4-(3-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

2827-4573 Screening compound: methyl 4-(3-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
2827-4573 Screening compound: methyl 4-(3-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2827-4573
methyl 4-(3-fluorophenyl)-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

2827-4573

Molecular Formula

C14H14FNO3 (C14 H14 FNO3)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(CC1c2cccc(F)c2)=O)=C1C(OC)=O

InChI

InChI=1S/C14H14FNO3/c1-8-13(14(18)19-2)11(7-12(17)16-8)9-4-3-5-10(15)6-9/h3-6,11H,7H2,1-2H3,(H,16,17)/t11-/m0/s1

InChI Key

UJFGEIFDSVPYBS-NSHDSACASA-N

MDL Number (MFCD)

MFCD00981435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.27

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

1.712

Distribution Coefficient, logD

0.772

Water Solubility, LogSw

-2.10

Polar Surface Area

45.613

Acid Dissociation Constant (pKa)

6.51

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

2827-4573 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Fragment Library (4274 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2827-4573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2827-4573?
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What is the minimum amount of 2827-4573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2827-4573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2827-4573
  • 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 2827-4573 available by request