V005-8565 Screening compound: 2-ethyl-1-[4-({5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)piperazino]-1-hexanone

V005-8565 Screening compound: 2-ethyl-1-[4-({5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)piperazino]-1-hexanone
V005-8565 Screening compound: 2-ethyl-1-[4-({5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)piperazino]-1-hexanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-8565
2-ethyl-1-[4-({5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}methyl)piperazino]-1-hexanone

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

V005-8565

Molecular Formula

C22H29F3N4O2 (C22 H29 F3 N4 O2)

Compound Name

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

IUPAC name

2-ethyl-1-[4-({5-[4-(trifluoromethyl)phenyl]-124-oxadiazol-3-yl}methyl)piperazin-1-yl]hexan-1-one

SMILES

CCCCC(CC)C(N1CCN(Cc2noc(-c3ccc(C(F)(F)F)cc3)n2)CC1)=O

InChI

InChI=1S/C22H29F3N4O2/c1-3-5-6-16(4-2)21(30)29-13-11-28(12-14-29)15-19-26-20(31-27-19)17-7-9-18(10-8-17)22(23,24)25/h7-10,16H,3-6,11-15H2,1-2H3/t16-/m0/s1

InChI Key

MYWOHCGLVSJWEF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14286552

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

438.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.864

Distribution Coefficient, logD

4.864

Water Solubility, LogSw

-4.58

Polar Surface Area

53.367

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

V005-8565 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V005-8565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-8565?
Check Price and Availability of V005-8565, 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 V005-8565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-8565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-8565
  • 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 V005-8565 available by request