K808-5802 Screening compound: 2-(naphthalen-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

K808-5802 Screening compound: 2-(naphthalen-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one
K808-5802 Screening compound: 2-(naphthalen-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K808-5802
2-(naphthalen-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

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

K808-5802

Molecular Formula

C23H21F3N2O (C23 H21 F3 N2 O)

Compound Name

2-(naphthalen-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

IUPAC name

2-(naphthalen-1-yl)-1-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

SMILES

O=C(Cc1cccc2ccccc12)N(CC1)CCN1c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C23H21F3N2O/c24-23(25,26)19-8-4-9-20(16-19)27-11-13-28(14-12-27)22(29)15-18-7-3-6-17-5-1-2-10-21(17)18/h1-10,16H,11-15H2

InChI Key

ONDZSQANFCPBEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.967

Distribution Coefficient, logD

4.967

Water Solubility, LogSw

-5.79

Polar Surface Area

19.348

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

K808-5802 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K808-5802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K808-5802?
Check Price and Availability of K808-5802, 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 K808-5802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K808-5802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K808-5802
  • 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 K808-5802 available by request