8020-2594 Screening compound: 5-(3,4-dimethoxybenzoyl)-1,3,6-trimethyl-2,4(1H,3H)-pyrimidinedione

8020-2594 Screening compound: 5-(3,4-dimethoxybenzoyl)-1,3,6-trimethyl-2,4(1H,3H)-pyrimidinedione
8020-2594 Screening compound: 5-(3,4-dimethoxybenzoyl)-1,3,6-trimethyl-2,4(1H,3H)-pyrimidinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-2594
5-(3,4-dimethoxybenzoyl)-1,3,6-trimethyl-2,4(1H,3H)-pyrimidinedione

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

8020-2594

Molecular Formula

C16H18N2O5 (C16 H18 N2 O5)

Compound Name

5-(3,4-dimethoxybenzoyl)-1,3,6-trimethyl-2,4(1H,3H)-pyrimidinedione

IUPAC name

5-(34-dimethoxybenzoyl)-136-trimethyl-1234-tetrahydropyrimidine-24-dione

SMILES

CC(N(C)C(N1C)=O)=C(C(c(cc2)cc(OC)c2OC)=O)C1=O

InChI

InChI=1S/C16H18N2O5/c1-9-13(15(20)18(3)16(21)17(9)2)14(19)10-6-7-11(22-4)12(8-10)23-5/h6-8H,1-5H3

InChI Key

LQQBWJFXZYQBQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12031120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.378

Distribution Coefficient, logD

1.378

Water Solubility, LogSw

-2.11

Polar Surface Area

60.570

Acid Dissociation Constant (pKa)

28.20

Base Dissociation Constant (pKb)

-5.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

8020-2594 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8020-2594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-2594?
Check Price and Availability of 8020-2594, 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 8020-2594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-2594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-2594
  • 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 8020-2594 available by request