V008-5000 Screening compound: ethyl 3-(4-{[5-({2'-cyano-[1,1'-biphenyl]-4-yl}methoxy)-4-oxo-4H-pyran-2-yl]methyl}piperazin-1-yl)-3-oxopropanoate

V008-5000 Screening compound: ethyl 3-(4-{[5-({2'-cyano-[1,1'-biphenyl]-4-yl}methoxy)-4-oxo-4H-pyran-2-yl]methyl}piperazin-1-yl)-3-oxopropanoate
V008-5000 Screening compound: ethyl 3-(4-{[5-({2'-cyano-[1,1'-biphenyl]-4-yl}methoxy)-4-oxo-4H-pyran-2-yl]methyl}piperazin-1-yl)-3-oxopropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-5000
ethyl 3-(4-{[5-({2'-cyano-[1,1'-biphenyl]-4-yl}methoxy)-4-oxo-4H-pyran-2-yl]methyl}piperazin-1-yl)-3-oxopropanoate

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

V008-5000

Molecular Formula

C29H29N3O6 (C29 H29 N3 O6)

Compound Name

ethyl 3-(4-{[5-({2'-cyano-[1,1'-biphenyl]-4-yl}methoxy)-4-oxo-4H-pyran-2-yl]methyl}piperazin-1-yl)-3-oxopropanoate

IUPAC name

ethyl 3-(4-{[5-({2'-cyano-[11'-biphenyl]-4-yl}methoxy)-4-oxo-4H-pyran-2-yl]methyl}piperazin-1-yl)-3-oxopropanoate

SMILES

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

InChI

InChI=1S/C29H29N3O6/c1-2-36-29(35)16-28(34)32-13-11-31(12-14-32)18-24-15-26(33)27(20-37-24)38-19-21-7-9-22(10-8-21)25-6-4-3-5-23(25)17-30/h3-10,15,20H,2,11-14,16,18-19H2,1H3

InChI Key

WNDDMBSJDPWPST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945913

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

515.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.177

Distribution Coefficient, logD

2.176

Water Solubility, LogSw

-2.84

Polar Surface Area

87.027

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

V008-5000 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 V008-5000 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-5000?
Check Price and Availability of V008-5000, 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 V008-5000 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-5000
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-5000
  • 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 V008-5000 available by request