8017-4964 Screening compound: 1-(naphthalen-2-yloxy)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-ol

8017-4964 Screening compound: 1-(naphthalen-2-yloxy)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-ol
8017-4964 Screening compound: 1-(naphthalen-2-yloxy)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4964
1-(naphthalen-2-yloxy)-3-{4-[3-(trifluoromethyl)phenyl]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

8017-4964

Molecular Formula

C24H25F3N2O2 (C24 H25 F3 N2 O2)

Compound Name

1-(naphthalen-2-yloxy)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-ol

IUPAC name

1-(naphthalen-2-yloxy)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-2-ol

SMILES

OC(CN(CC1)CCN1c1cccc(C(F)(F)F)c1)COc1cc2ccccc2cc1

InChI

InChI=1S/C24H25F3N2O2/c25-24(26,27)20-6-3-7-21(15-20)29-12-10-28(11-13-29)16-22(30)17-31-23-9-8-18-4-1-2-5-19(18)14-23/h1-9,14-15,22,30H,10-13,16-17H2/t22-/m0/s1

InChI Key

YEEHVHSWTMOETI-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD06017331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.47

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

5.057

Distribution Coefficient, logD

4.999

Water Solubility, LogSw

-5.49

Polar Surface Area

31.078

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8017-4964 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8017-4964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4964?
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What is the minimum amount of 8017-4964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4964
  • 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 8017-4964 available by request