5594-3090 Screening compound: (2E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one

5594-3090 Screening compound: (2E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
5594-3090 Screening compound: (2E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-3090
(2E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-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

5594-3090

Molecular Formula

C20H21FN2O2 (C20 H21 FN2 O2)

Compound Name

(2E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one

IUPAC name

(2E)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one

SMILES

COc1ccc(/C=C/C(N(CC2)CCN2c(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C20H21FN2O2/c1-25-19-9-2-16(3-10-19)4-11-20(24)23-14-12-22(13-15-23)18-7-5-17(21)6-8-18/h2-11H,12-15H2,1H3

InChI Key

QTRLBCOTWHZYOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01834607

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.567

Distribution Coefficient, logD

3.567

Water Solubility, LogSw

-3.53

Polar Surface Area

27.163

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5594-3090 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5594-3090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-3090?
Check Price and Availability of 5594-3090, 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 5594-3090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-3090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-3090
  • 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 5594-3090 available by request