8011-5029 Screening compound: 1-{4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]piperazino}-1-ethanone

8011-5029 Screening compound: 1-{4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]piperazino}-1-ethanone
8011-5029 Screening compound: 1-{4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]piperazino}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5029
1-{4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]piperazino}-1-ethanone

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

8011-5029

Molecular Formula

C13H11F7N2O (C13 H11 F7 N2 O)

Compound Name

1-{4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]piperazino}-1-ethanone

IUPAC name

1-{4-[2356-tetrafluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

SMILES

CC(N(CC1)CCN1c(c(F)c(c(C(F)(F)F)c1F)F)c1F)=O

InChI

InChI=1S/C13H11F7N2O/c1-6(23)21-2-4-22(5-3-21)12-10(16)8(14)7(13(18,19)20)9(15)11(12)17/h2-5H2,1H3

InChI Key

JPJQBNMFUGXGFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00633036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.23

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.365

Distribution Coefficient, logD

3.365

Water Solubility, LogSw

-3.50

Polar Surface Area

20.285

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

8011-5029 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8011-5029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5029?
Check Price and Availability of 8011-5029, 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 8011-5029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5029
  • 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 8011-5029 available by request