8005-9187 Screening compound: 4-benzyl-1-(4-methoxyphenyl)dihydro-2,6(1H,3H)-pyrazinedione

8005-9187 Screening compound: 4-benzyl-1-(4-methoxyphenyl)dihydro-2,6(1H,3H)-pyrazinedione
8005-9187 Screening compound: 4-benzyl-1-(4-methoxyphenyl)dihydro-2,6(1H,3H)-pyrazinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9187
4-benzyl-1-(4-methoxyphenyl)dihydro-2,6(1H,3H)-pyrazinedione

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

8005-9187

Molecular Formula

C18H18N2O3 (C18 H18 N2 O3)

Compound Name

4-benzyl-1-(4-methoxyphenyl)dihydro-2,6(1H,3H)-pyrazinedione

IUPAC name

4-benzyl-1-(4-methoxyphenyl)piperazine-26-dione

SMILES

COc(cc1)ccc1N(C(CN(Cc1ccccc1)C1)=O)C1=O

InChI

InChI=1S/C18H18N2O3/c1-23-16-9-7-15(8-10-16)20-17(21)12-19(13-18(20)22)11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3

InChI Key

QMQHRCUIKPEDCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00754275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.377

Distribution Coefficient, logD

1.376

Water Solubility, LogSw

-1.62

Polar Surface Area

40.292

Acid Dissociation Constant (pKa)

17.65

Base Dissociation Constant (pKb)

4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8005-9187 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 8005-9187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9187?
Check Price and Availability of 8005-9187, 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 8005-9187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9187
  • 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 8005-9187 available by request