3346-2018 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol

3346-2018 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol
3346-2018 Screening compound: 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3346-2018
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol

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

3346-2018

Molecular Formula

C22H27FN2O2 (C22 H27 FN2 O2)

Compound Name

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol

IUPAC name

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-[2-(prop-2-en-1-yl)phenoxy]propan-2-ol

SMILES

C=CCc(cccc1)c1OCC(CN(CC1)CCN1c(cccc1)c1F)O

InChI

InChI=1S/C22H27FN2O2/c1-2-7-18-8-3-6-11-22(18)27-17-19(26)16-24-12-14-25(15-13-24)21-10-5-4-9-20(21)23/h2-6,8-11,19,26H,1,7,12-17H2/t19-/m0/s1

InChI Key

VJJXLBGKOZOUEN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02943682

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.385

Distribution Coefficient, logD

4.360

Water Solubility, LogSw

-4.33

Polar Surface Area

31.136

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

3346-2018 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 3346-2018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3346-2018?
Check Price and Availability of 3346-2018, 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 3346-2018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3346-2018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3346-2018
  • 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 3346-2018 available by request