V009-7381 Screening compound: 1-{4-[2-[(3-chlorobenzyl)oxy]-2-(3-methoxyphenyl)ethyl]piperazino}-3-cyclopentyl-1-propanone

V009-7381 Screening compound: 1-{4-[2-[(3-chlorobenzyl)oxy]-2-(3-methoxyphenyl)ethyl]piperazino}-3-cyclopentyl-1-propanone
V009-7381 Screening compound: 1-{4-[2-[(3-chlorobenzyl)oxy]-2-(3-methoxyphenyl)ethyl]piperazino}-3-cyclopentyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-7381
1-{4-[2-[(3-chlorobenzyl)oxy]-2-(3-methoxyphenyl)ethyl]piperazino}-3-cyclopentyl-1-propanone

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

V009-7381

Molecular Formula

C28H37ClN2O3 (C28 H37 ClN2 O3)

Compound Name

1-{4-[2-[(3-chlorobenzyl)oxy]-2-(3-methoxyphenyl)ethyl]piperazino}-3-cyclopentyl-1-propanone

IUPAC name

1-(4-{2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl}piperazin-1-yl)-3-cyclopentylpropan-1-one

SMILES

COc1cccc(C(CN(CC2)CCN2C(CCC2CCCC2)=O)OCc2cccc(Cl)c2)c1

InChI

InChI=1S/C28H37ClN2O3/c1-33-26-11-5-9-24(19-26)27(34-21-23-8-4-10-25(29)18-23)20-30-14-16-31(17-15-30)28(32)13-12-22-6-2-3-7-22/h4-5,8-11,18-19,22,27H,2-3,6-7,12-17,20-21H2,1H3/t27-/m0/s1

InChI Key

YYJWDEGNWRHCQM-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19952580

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

485.07

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.229

Distribution Coefficient, logD

5.225

Water Solubility, LogSw

-5.77

Polar Surface Area

34.882

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.57

V009-7381 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V009-7381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-7381?
Check Price and Availability of V009-7381, 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 V009-7381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-7381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-7381
  • 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 V009-7381 available by request