V009-3659 Screening compound: 1-[3-(trifluoromethyl)phenyl]-4-({5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)piperazine

V009-3659 Screening compound: 1-[3-(trifluoromethyl)phenyl]-4-({5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)piperazine
V009-3659 Screening compound: 1-[3-(trifluoromethyl)phenyl]-4-({5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-3659
1-[3-(trifluoromethyl)phenyl]-4-({5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)piperazine

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

V009-3659

Molecular Formula

C21H18F6N4O (C21 H18 F6 N4 O)

Compound Name

1-[3-(trifluoromethyl)phenyl]-4-({5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)piperazine

IUPAC name

1-[3-(trifluoromethyl)phenyl]-4-({5-[3-(trifluoromethyl)phenyl]-124-oxadiazol-3-yl}methyl)piperazine

SMILES

FC(c1cccc(-c2nc(CN(CC3)CCN3c3cccc(C(F)(F)F)c3)no2)c1)(F)F

InChI

InChI=1S/C21H18F6N4O/c22-20(23,24)15-4-1-3-14(11-15)19-28-18(29-32-19)13-30-7-9-31(10-8-30)17-6-2-5-16(12-17)21(25,26)27/h1-6,11-12H,7-10,13H2

InChI Key

IQUNVLIADYWUHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14286295

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

456.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.853

Distribution Coefficient, logD

4.853

Water Solubility, LogSw

-4.92

Polar Surface Area

39.899

Acid Dissociation Constant (pKa)

27.97

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V009-3659 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V009-3659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3659?
Check Price and Availability of V009-3659, 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 V009-3659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3659
  • 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 V009-3659 available by request