V006-3757 Screening compound: ethyl 5-(4-{[5-({2'-cyano-[1,1'-biphenyl]-4-yl}methoxy)-4-oxo-4H-pyran-2-yl]methyl}piperazin-1-yl)-5-oxopentanoate

V006-3757 Screening compound: ethyl 5-(4-{[5-({2'-cyano-[1,1'-biphenyl]-4-yl}methoxy)-4-oxo-4H-pyran-2-yl]methyl}piperazin-1-yl)-5-oxopentanoate
V006-3757 Screening compound: ethyl 5-(4-{[5-({2'-cyano-[1,1'-biphenyl]-4-yl}methoxy)-4-oxo-4H-pyran-2-yl]methyl}piperazin-1-yl)-5-oxopentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-3757
ethyl 5-(4-{[5-({2'-cyano-[1,1'-biphenyl]-4-yl}methoxy)-4-oxo-4H-pyran-2-yl]methyl}piperazin-1-yl)-5-oxopentanoate

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

V006-3757

Molecular Formula

C31H33N3O6 (C31 H33 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C31H33N3O6/c1-2-38-31(37)9-5-8-30(36)34-16-14-33(15-17-34)20-26-18-28(35)29(22-39-26)40-21-23-10-12-24(13-11-23)27-7-4-3-6-25(27)19-32/h3-4,6-7,10-13,18,22H,2,5,8-9,14-17,20-21H2,1H3

InChI Key

FIXOLNGWFBJRNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945897

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

543.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.643

Distribution Coefficient, logD

2.643

Water Solubility, LogSw

-3.17

Polar Surface Area

87.027

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.50

V006-3757 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 V006-3757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-3757?
Check Price and Availability of V006-3757, 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 V006-3757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-3757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-3757
  • 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 V006-3757 available by request