8018-4868 Screening compound: methyl 4-(3-fluorophenyl)-1,2-dimethyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate

8018-4868 Screening compound: methyl 4-(3-fluorophenyl)-1,2-dimethyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
8018-4868 Screening compound: methyl 4-(3-fluorophenyl)-1,2-dimethyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4868
methyl 4-(3-fluorophenyl)-1,2-dimethyl-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

8018-4868

Molecular Formula

C15H16FNO3 (C15 H16 FNO3)

Compound Name

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

IUPAC name

methyl 4-(3-fluorophenyl)-12-dimethyl-6-oxo-1456-tetrahydropyridine-3-carboxylate

SMILES

CC(N(C)C(CC1c2cccc(F)c2)=O)=C1C(OC)=O

InChI

InChI=1S/C15H16FNO3/c1-9-14(15(19)20-3)12(8-13(18)17(9)2)10-5-4-6-11(16)7-10/h4-7,12H,8H2,1-3H3/t12-/m0/s1

InChI Key

PHQTZPQFGMBIMV-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD07800096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.788

Distribution Coefficient, logD

1.788

Water Solubility, LogSw

-2.01

Polar Surface Area

37.059

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8018-4868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4868?
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What is the minimum amount of 8018-4868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4868
  • 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 8018-4868 available by request