V012-9570 Screening compound: 4-{[1-(3-methoxyphenyl)-2-(4-pentanoylpiperazino)ethoxy]methyl}benzonitrile

V012-9570 Screening compound: 4-{[1-(3-methoxyphenyl)-2-(4-pentanoylpiperazino)ethoxy]methyl}benzonitrile
V012-9570 Screening compound: 4-{[1-(3-methoxyphenyl)-2-(4-pentanoylpiperazino)ethoxy]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-9570
4-{[1-(3-methoxyphenyl)-2-(4-pentanoylpiperazino)ethoxy]methyl}benzonitrile

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

V012-9570

Molecular Formula

C26H33N3O3 (C26 H33 N3 O3)

Compound Name

4-{[1-(3-methoxyphenyl)-2-(4-pentanoylpiperazino)ethoxy]methyl}benzonitrile

IUPAC name

4-{[1-(3-methoxyphenyl)-2-(4-pentanoylpiperazin-1-yl)ethoxy]methyl}benzonitrile

SMILES

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

InChI

InChI=1S/C26H33N3O3/c1-3-4-8-26(30)29-15-13-28(14-16-29)19-25(23-6-5-7-24(17-23)31-2)32-20-22-11-9-21(18-27)10-12-22/h5-7,9-12,17,25H,3-4,8,13-16,19-20H2,1-2H3/t25-/m0/s1

InChI Key

FPQOZEZZKKOWIU-VWLOTQADSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

435.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.613

Distribution Coefficient, logD

3.610

Water Solubility, LogSw

-3.74

Polar Surface Area

51.652

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

References: we are preparing a list of scientific research reports with V012-9570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-9570?
Check Price and Availability of V012-9570, 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 V012-9570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-9570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-9570
  • 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 V012-9570 available by request