V005-0146 Screening compound: 4'-{[(6-{[4-(2-methylbutanoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile

V005-0146 Screening compound: 4'-{[(6-{[4-(2-methylbutanoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile
V005-0146 Screening compound: 4'-{[(6-{[4-(2-methylbutanoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-0146
4'-{[(6-{[4-(2-methylbutanoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile

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

V005-0146

Molecular Formula

C29H31N3O4 (C29 H31 N3 O4)

Compound Name

4'-{[(6-{[4-(2-methylbutanoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[1,1'-biphenyl]-2-carbonitrile

IUPAC name

4'-{[(6-{[4-(2-methylbutanoyl)piperazin-1-yl]methyl}-4-oxo-4H-pyran-3-yl)oxy]methyl}-[11'-biphenyl]-2-carbonitrile

SMILES

CCC(C)C(N1CCN(CC(OC=C2OCc(cc3)ccc3-c(cccc3)c3C#N)=CC2=O)CC1)=O

InChI

InChI=1S/C29H31N3O4/c1-3-21(2)29(34)32-14-12-31(13-15-32)18-25-16-27(33)28(20-35-25)36-19-22-8-10-23(11-9-22)26-7-5-4-6-24(26)17-30/h4-11,16,20-21H,3,12-15,18-19H2,1-2H3/t21-/m0/s1

InChI Key

FCHRPRRGIMQDPE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19945931

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

485.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.480

Distribution Coefficient, logD

3.479

Water Solubility, LogSw

-3.68

Polar Surface Area

67.395

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

V005-0146 in Drug Discovery

Included in Screening Libraries

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 V005-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-0146?
Check Price and Availability of V005-0146, 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 V005-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-0146
  • 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 V005-0146 available by request