3346-2058 Screening compound: 1-(2-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

3346-2058 Screening compound: 1-(2-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
3346-2058 Screening compound: 1-(2-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3346-2058
1-(2-tert-butylphenoxy)-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

3346-2058

Molecular Formula

C23H31FN2O2 (C23 H31 FN2 O2)

Compound Name

1-(2-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

IUPAC name

1-(2-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol

SMILES

CC(C)(C)c(cccc1)c1OCC(CN(CC1)CCN1c(cccc1)c1F)O

InChI

InChI=1S/C23H31FN2O2/c1-23(2,3)19-8-4-7-11-22(19)28-17-18(27)16-25-12-14-26(15-13-25)21-10-6-5-9-20(21)24/h4-11,18,27H,12-17H2,1-3H3/t18-/m0/s1

InChI Key

ULOUNIZDVMGORF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02943693

Chemical and Physical Properties

Saltdata

HCl

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

4.717

Distribution Coefficient, logD

4.693

Water Solubility, LogSw

-4.50

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

47.80

3346-2058 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3346-2058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3346-2058?
Check Price and Availability of 3346-2058, 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 3346-2058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3346-2058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3346-2058
  • 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 3346-2058 available by request