V031-3687 Screening compound: 1-(2-ethoxyphenyl)-4-(3-fluorobenzoyl)-3-methyltetrahydro-2(1H)-pyrazinone

V031-3687 Screening compound: 1-(2-ethoxyphenyl)-4-(3-fluorobenzoyl)-3-methyltetrahydro-2(1H)-pyrazinone
V031-3687 Screening compound: 1-(2-ethoxyphenyl)-4-(3-fluorobenzoyl)-3-methyltetrahydro-2(1H)-pyrazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-3687
1-(2-ethoxyphenyl)-4-(3-fluorobenzoyl)-3-methyltetrahydro-2(1H)-pyrazinone

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

V031-3687

Molecular Formula

C20H21FN2O3 (C20 H21 FN2 O3)

Compound Name

1-(2-ethoxyphenyl)-4-(3-fluorobenzoyl)-3-methyltetrahydro-2(1H)-pyrazinone

IUPAC name

1-(2-ethoxyphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one

SMILES

CCOc(cccc1)c1N(CCN(C1C)C(c2cccc(F)c2)=O)C1=O

InChI

InChI=1S/C20H21FN2O3/c1-3-26-18-10-5-4-9-17(18)23-12-11-22(14(2)19(23)24)20(25)15-7-6-8-16(21)13-15/h4-10,13-14H,3,11-12H2,1-2H3/t14-/m0/s1

InChI Key

WXLRCQBETIXMNU-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.940

Distribution Coefficient, logD

2.940

Water Solubility, LogSw

-3.30

Polar Surface Area

38.885

Acid Dissociation Constant (pKa)

18.02

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with V031-3687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-3687?
Check Price and Availability of V031-3687, 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 V031-3687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-3687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-3687
  • 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 V031-3687 available by request