V008-0753 Screening compound: methyl 5-(4-{[5-({2'-cyano-[1,1'-biphenyl]-4-yl}methoxy)-4-oxo-4H-pyran-2-yl]methyl}piperazin-1-yl)-5-oxopentanoate

V008-0753 Screening compound: methyl 5-(4-{[5-({2'-cyano-[1,1'-biphenyl]-4-yl}methoxy)-4-oxo-4H-pyran-2-yl]methyl}piperazin-1-yl)-5-oxopentanoate
V008-0753 Screening compound: methyl 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 V008-0753
methyl 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

V008-0753

Molecular Formula

C30H31N3O6 (C30 H31 N3 O6)

Compound Name

methyl 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

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

SMILES

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

InChI

InChI=1S/C30H31N3O6/c1-37-30(36)8-4-7-29(35)33-15-13-32(14-16-33)19-25-17-27(34)28(21-38-25)39-20-22-9-11-23(12-10-22)26-6-3-2-5-24(26)18-31/h2-3,5-6,9-12,17,21H,4,7-8,13-16,19-20H2,1H3

InChI Key

UDKRSRSXYLQITA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945892

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

529.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.187

Distribution Coefficient, logD

2.186

Water Solubility, LogSw

-2.80

Polar Surface Area

87.447

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V008-0753 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 V008-0753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-0753?
Check Price and Availability of V008-0753, 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 V008-0753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-0753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-0753
  • 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 V008-0753 available by request