D355-0032 Screening compound: 8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-hydroxy-2H-chromen-2-one

D355-0032 Screening compound: 8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-hydroxy-2H-chromen-2-one
D355-0032 Screening compound: 8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-hydroxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D355-0032
8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-hydroxy-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

D355-0032

Molecular Formula

C22H22N2O5 (C22 H22 N2 O5)

Compound Name

8-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-hydroxy-2H-chromen-2-one

IUPAC name

8-({4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-7-hydroxy-2H-chromen-2-one

SMILES

Oc(cc1)c(CN2CCN(Cc(cc3)cc4c3OCO4)CC2)c(O2)c1C=CC2=O

InChI

InChI=1S/C22H22N2O5/c25-18-4-2-16-3-6-21(26)29-22(16)17(18)13-24-9-7-23(8-10-24)12-15-1-5-19-20(11-15)28-14-27-19/h1-6,11,25H,7-10,12-14H2

InChI Key

PXMMXNSWMWIUDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14822372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.545

Distribution Coefficient, logD

1.574

Water Solubility, LogSw

-3.03

Polar Surface Area

61.267

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D355-0032 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D355-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D355-0032?
Check Price and Availability of D355-0032, 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 D355-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D355-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D355-0032
  • 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 D355-0032 available by request