D718-0237 Screening compound: ethyl 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxo-1,4-dihydropyrimidine-5-carboxylate

D718-0237 Screening compound: ethyl 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxo-1,4-dihydropyrimidine-5-carboxylate
D718-0237 Screening compound: ethyl 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxo-1,4-dihydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0237
ethyl 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxo-1,4-dihydropyrimidine-5-carboxylate

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

D718-0237

Molecular Formula

C19H22N4O5 (C19 H22 N4 O5)

Compound Name

ethyl 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxo-1,4-dihydropyrimidine-5-carboxylate

IUPAC name

ethyl 2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxo-14-dihydropyrimidine-5-carboxylate

SMILES

CCOC(C1=CNC(N2CCN(Cc(cc3)cc4c3OCO4)CC2)=NC1=O)=O

InChI

InChI=1S/C19H22N4O5/c1-2-26-18(25)14-10-20-19(21-17(14)24)23-7-5-22(6-8-23)11-13-3-4-15-16(9-13)28-12-27-15/h3-4,9-10H,2,5-8,11-12H2,1H3,(H,20,21,24)

InChI Key

QAXZVJUATMQWSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08088155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.107

Distribution Coefficient, logD

1.107

Water Solubility, LogSw

-2.27

Polar Surface Area

79.255

Acid Dissociation Constant (pKa)

5.06

Base Dissociation Constant (pKb)

7.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

D718-0237 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D718-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0237?
Check Price and Availability of D718-0237, 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 D718-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0237
  • 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 D718-0237 available by request