6047-0074 Screening compound: (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-6-methylpiperazin-2-one

6047-0074 Screening compound: (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-6-methylpiperazin-2-one
6047-0074 Screening compound: (3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-6-methylpiperazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6047-0074
(3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-6-methylpiperazin-2-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

6047-0074

Molecular Formula

C13H13FN2O2 (C13 H13 FN2 O2)

Compound Name

(3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-6-methylpiperazin-2-one

IUPAC name

(3E)-3-[2-(4-fluorophenyl)-2-oxoethylidene]-6-methylpiperazin-2-one

SMILES

CC(CN/C1=C/C(c(cc2)ccc2F)=O)NC1=O

InChI

InChI=1S/C13H13FN2O2/c1-8-7-15-11(13(18)16-8)6-12(17)9-2-4-10(14)5-3-9/h2-6,8,15H,7H2,1H3,(H,16,18)/t8-/m1/s1

InChI Key

COKHVGGYRNRXKQ-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD03779017

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.128

Distribution Coefficient, logD

1.122

Water Solubility, LogSw

-1.96

Polar Surface Area

49.729

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

6047-0074 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6047-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6047-0074?
Check Price and Availability of 6047-0074, 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 6047-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6047-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6047-0074
  • 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 6047-0074 available by request