D222-0231 Screening compound: 4-({4-[(2-chlorophenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-chromen-2-one

D222-0231 Screening compound: 4-({4-[(2-chlorophenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-chromen-2-one
D222-0231 Screening compound: 4-({4-[(2-chlorophenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D222-0231
4-({4-[(2-chlorophenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-chromen-2-one

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

D222-0231

Molecular Formula

C22H23ClN2O2 (C22 H23 ClN2 O2)

Compound Name

4-({4-[(2-chlorophenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-chromen-2-one

IUPAC name

4-({4-[(2-chlorophenyl)methyl]piperazin-1-yl}methyl)-7-methyl-2H-chromen-2-one

SMILES

Cc(cc1)cc(O2)c1C(CN1CCN(Cc(cccc3)c3Cl)CC1)=CC2=O

InChI

InChI=1S/C22H23ClN2O2/c1-16-6-7-19-18(13-22(26)27-21(19)12-16)15-25-10-8-24(9-11-25)14-17-4-2-3-5-20(17)23/h2-7,12-13H,8-11,14-15H2,1H3

InChI Key

WDRFDFCXZVUMMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08122650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.772

Distribution Coefficient, logD

3.636

Water Solubility, LogSw

-4.10

Polar Surface Area

27.919

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D222-0231 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D222-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D222-0231?
Check Price and Availability of D222-0231, 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 D222-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D222-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D222-0231
  • 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 D222-0231 available by request