V018-5306 Screening compound: ethyl 1-(2-fluorobenzyl)-2-methyl-6-oxo-4-phenyl-1,4,5,6-tetrahydro-3-pyridinecarboxylate

V018-5306 Screening compound: ethyl 1-(2-fluorobenzyl)-2-methyl-6-oxo-4-phenyl-1,4,5,6-tetrahydro-3-pyridinecarboxylate
V018-5306 Screening compound: ethyl 1-(2-fluorobenzyl)-2-methyl-6-oxo-4-phenyl-1,4,5,6-tetrahydro-3-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5306
ethyl 1-(2-fluorobenzyl)-2-methyl-6-oxo-4-phenyl-1,4,5,6-tetrahydro-3-pyridinecarboxylate

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

V018-5306

Molecular Formula

C22H22FNO3 (C22 H22 FNO3)

Compound Name

ethyl 1-(2-fluorobenzyl)-2-methyl-6-oxo-4-phenyl-1,4,5,6-tetrahydro-3-pyridinecarboxylate

IUPAC name

ethyl 1-[(2-fluorophenyl)methyl]-2-methyl-6-oxo-4-phenyl-1456-tetrahydropyridine-3-carboxylate

SMILES

CCOC(C(C(C1)c2ccccc2)=C(C)N(Cc(cccc2)c2F)C1=O)=O

InChI

InChI=1S/C22H22FNO3/c1-3-27-22(26)21-15(2)24(14-17-11-7-8-12-19(17)23)20(25)13-18(21)16-9-5-4-6-10-16/h4-12,18H,3,13-14H2,1-2H3/t18-/m1/s1

InChI Key

RXMBYYZMRFKKFH-GOSISDBHSA-N

MDL Number (MFCD)

MFCD19979548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.090

Distribution Coefficient, logD

4.090

Water Solubility, LogSw

-3.99

Polar Surface Area

36.602

Acid Dissociation Constant (pKa)

18.86

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with V018-5306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5306?
Check Price and Availability of V018-5306, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V018-5306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5306
  • 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 V018-5306 available by request