V006-0627 Screening compound: 1-{4-[2-(allyloxy)-2-(3-methoxyphenyl)ethyl]piperazino}-3-methyl-1-butanone

V006-0627 Screening compound: 1-{4-[2-(allyloxy)-2-(3-methoxyphenyl)ethyl]piperazino}-3-methyl-1-butanone
V006-0627 Screening compound: 1-{4-[2-(allyloxy)-2-(3-methoxyphenyl)ethyl]piperazino}-3-methyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0627
1-{4-[2-(allyloxy)-2-(3-methoxyphenyl)ethyl]piperazino}-3-methyl-1-butanone

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

V006-0627

Molecular Formula

C21H32N2O3 (C21 H32 N2 O3)

Compound Name

1-{4-[2-(allyloxy)-2-(3-methoxyphenyl)ethyl]piperazino}-3-methyl-1-butanone

IUPAC name

1-{4-[2-(3-methoxyphenyl)-2-(prop-2-en-1-yloxy)ethyl]piperazin-1-yl}-3-methylbutan-1-one

SMILES

CC(C)CC(N1CCN(CC(c2cc(OC)ccc2)OCC=C)CC1)=O

InChI

InChI=1S/C21H32N2O3/c1-5-13-26-20(18-7-6-8-19(15-18)25-4)16-22-9-11-23(12-10-22)21(24)14-17(2)3/h5-8,15,17,20H,1,9-14,16H2,2-4H3/t20-/m0/s1

InChI Key

DUOMUZVCURZTSZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19971308

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

360.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.142

Distribution Coefficient, logD

3.137

Water Solubility, LogSw

-3.16

Polar Surface Area

34.786

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

V006-0627 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V006-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0627?
Check Price and Availability of V006-0627, 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 V006-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0627
  • 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 V006-0627 available by request