3563-0176 Screening compound: 1-{5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl}ethan-1-one

3563-0176 Screening compound: 1-{5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl}ethan-1-one
3563-0176 Screening compound: 1-{5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3563-0176
1-{5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl}ethan-1-one

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

3563-0176

Molecular Formula

C20H20F2N2O2 (C20 H20 F2 N2 O2)

Compound Name

1-{5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl}ethan-1-one

IUPAC name

1-{5-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-methylphenyl}ethan-1-one

SMILES

CC(c(c(C)c1)cc(F)c1N(CC1)CCN1C(c(cc1)ccc1F)=O)=O

InChI

InChI=1S/C20H20F2N2O2/c1-13-11-19(18(22)12-17(13)14(2)25)23-7-9-24(10-8-23)20(26)15-3-5-16(21)6-4-15/h3-6,11-12H,7-10H2,1-2H3

InChI Key

VRMVHSNIKIMHJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01654949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.900

Distribution Coefficient, logD

2.900

Water Solubility, LogSw

-3.18

Polar Surface Area

33.673

Acid Dissociation Constant (pKa)

21.45

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 3563-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3563-0176?
Check Price and Availability of 3563-0176, 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 3563-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3563-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3563-0176
  • 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 3563-0176 available by request