3346-2013 Screening compound: 1-(2,4-dimethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

3346-2013 Screening compound: 1-(2,4-dimethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
3346-2013 Screening compound: 1-(2,4-dimethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3346-2013
1-(2,4-dimethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]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

3346-2013

Molecular Formula

C21H27FN2O2 (C21 H27 FN2 O2)

Compound Name

1-(2,4-dimethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

IUPAC name

1-(24-dimethylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

SMILES

Cc(cc1)cc(C)c1OCC(CN(CC1)CCN1c(cccc1)c1F)O

InChI

InChI=1S/C21H27FN2O2/c1-16-7-8-21(17(2)13-16)26-15-18(25)14-23-9-11-24(12-10-23)20-6-4-3-5-19(20)22/h3-8,13,18,25H,9-12,14-15H2,1-2H3/t18-/m0/s1

InChI Key

ARUXCJMEZYAOCZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02943673

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.494

Distribution Coefficient, logD

4.470

Water Solubility, LogSw

-4.40

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

42.90

3346-2013 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Nervous system
  • Infections
  • Immune system
  • animal
Targets:
  • Ion Channels
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 3346-2013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3346-2013?
Check Price and Availability of 3346-2013, 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 3346-2013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3346-2013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3346-2013
  • 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 3346-2013 available by request