V011-3172 Screening compound: {4-[2-(allyloxy)-2-(3-methoxyphenyl)ethyl]piperazino}(2-chloro-3-pyridyl)methanone

V011-3172 Screening compound: {4-[2-(allyloxy)-2-(3-methoxyphenyl)ethyl]piperazino}(2-chloro-3-pyridyl)methanone
V011-3172 Screening compound: {4-[2-(allyloxy)-2-(3-methoxyphenyl)ethyl]piperazino}(2-chloro-3-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-3172
{4-[2-(allyloxy)-2-(3-methoxyphenyl)ethyl]piperazino}(2-chloro-3-pyridyl)methanone

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

V011-3172

Molecular Formula

C22H26ClN3O3 (C22 H26 ClN3 O3)

Compound Name

{4-[2-(allyloxy)-2-(3-methoxyphenyl)ethyl]piperazino}(2-chloro-3-pyridyl)methanone

IUPAC name

1-(2-chloropyridine-3-carbonyl)-4-[2-(3-methoxyphenyl)-2-(prop-2-en-1-yloxy)ethyl]piperazine

SMILES

COc1cccc(C(CN(CC2)CCN2C(c2cccnc2Cl)=O)OCC=C)c1

InChI

InChI=1S/C22H26ClN3O3/c1-3-14-29-20(17-6-4-7-18(15-17)28-2)16-25-10-12-26(13-11-25)22(27)19-8-5-9-24-21(19)23/h3-9,15,20H,1,10-14,16H2,2H3/t20-/m0/s1

InChI Key

FTPUSTCZBYYHTI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19953368

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

415.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.732

Distribution Coefficient, logD

2.730

Water Solubility, LogSw

-3.49

Polar Surface Area

44.727

Acid Dissociation Constant (pKa)

25.14

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

V011-3172 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V011-3172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-3172?
Check Price and Availability of V011-3172, 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 V011-3172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-3172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-3172
  • 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 V011-3172 available by request