V012-9604 Screening compound: ethyl 3-(4-{2-[(4-cyanophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazin-1-yl)-3-oxopropanoate

V012-9604 Screening compound: ethyl 3-(4-{2-[(4-cyanophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazin-1-yl)-3-oxopropanoate
V012-9604 Screening compound: ethyl 3-(4-{2-[(4-cyanophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazin-1-yl)-3-oxopropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9604
ethyl 3-(4-{2-[(4-cyanophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}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

V012-9604

Molecular Formula

C26H31N3O5 (C26 H31 N3 O5)

Compound Name

ethyl 3-(4-{2-[(4-cyanophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazin-1-yl)-3-oxopropanoate

IUPAC name

ethyl 3-(4-{2-[(4-cyanophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazin-1-yl)-3-oxopropanoate

SMILES

CCOC(CC(N1CCN(CC(c2cc(OC)ccc2)OCc(cc2)ccc2C#N)CC1)=O)=O

InChI

InChI=1S/C26H31N3O5/c1-3-33-26(31)16-25(30)29-13-11-28(12-14-29)18-24(22-5-4-6-23(15-22)32-2)34-19-21-9-7-20(17-27)8-10-21/h4-10,15,24H,3,11-14,16,18-19H2,1-2H3/t24-/m0/s1

InChI Key

SPEXRGIQBCGQRU-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19952547

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.353

Distribution Coefficient, logD

2.350

Water Solubility, LogSw

-2.59

Polar Surface Area

71.811

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

V012-9604 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 V012-9604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9604?
Check Price and Availability of V012-9604, 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 V012-9604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9604
  • 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 V012-9604 available by request