3333-4665 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[5-methyl-2-(propan-2-yl)phenoxy]propan-2-ol

3333-4665 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[5-methyl-2-(propan-2-yl)phenoxy]propan-2-ol
3333-4665 Screening compound: 1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[5-methyl-2-(propan-2-yl)phenoxy]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3333-4665
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[5-methyl-2-(propan-2-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

3333-4665

Molecular Formula

C23H31FN2O2 (C23 H31 FN2 O2)

Compound Name

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[5-methyl-2-(propan-2-yl)phenoxy]propan-2-ol

IUPAC name

1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[5-methyl-2-(propan-2-yl)phenoxy]propan-2-ol

SMILES

CC(C)c(ccc(C)c1)c1OCC(CN(CC1)CCN1c(cc1)ccc1F)O

InChI

InChI=1S/C23H31FN2O2/c1-17(2)22-9-4-18(3)14-23(22)28-16-21(27)15-25-10-12-26(13-11-25)20-7-5-19(24)6-8-20/h4-9,14,17,21,27H,10-13,15-16H2,1-3H3/t21-/m0/s1

InChI Key

UECGJRCMFMOXME-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01831201

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

386.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.123

Distribution Coefficient, logD

5.065

Water Solubility, LogSw

-5.04

Polar Surface Area

31.437

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

3333-4665 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Nervous system
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3333-4665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3333-4665?
Check Price and Availability of 3333-4665, 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 3333-4665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3333-4665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3333-4665
  • 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 3333-4665 available by request