8013-6808 Screening compound: 5-[(E)-1-(2,5-dimethoxyphenyl)methylidene]-1-mesityl-2,4,6(1H,3H,5H)-pyrimidinetrione

8013-6808 Screening compound: 5-[(E)-1-(2,5-dimethoxyphenyl)methylidene]-1-mesityl-2,4,6(1H,3H,5H)-pyrimidinetrione
8013-6808 Screening compound: 5-[(E)-1-(2,5-dimethoxyphenyl)methylidene]-1-mesityl-2,4,6(1H,3H,5H)-pyrimidinetrione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6808
5-[(E)-1-(2,5-dimethoxyphenyl)methylidene]-1-mesityl-2,4,6(1H,3H,5H)-pyrimidinetrione

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

8013-6808

Molecular Formula

C22H22N2O5 (C22 H22 N2 O5)

Compound Name

5-[(E)-1-(2,5-dimethoxyphenyl)methylidene]-1-mesityl-2,4,6(1H,3H,5H)-pyrimidinetrione

IUPAC name

(5E)-5-[(25-dimethoxyphenyl)methylidene]-1-(246-trimethylphenyl)-13-diazinane-246-trione

SMILES

Cc(cc1C)cc(C)c1N(C(/C(/C(N1)=O)=C/c(cc(cc2)OC)c2OC)=O)C1=O

InChI

InChI=1S/C22H22N2O5/c1-12-8-13(2)19(14(3)9-12)24-21(26)17(20(25)23-22(24)27)11-15-10-16(28-4)6-7-18(15)29-5/h6-11H,1-5H3,(H,23,25,27)

InChI Key

YQCFWMAOHYMBJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02315308

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

4.335

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-4.46

Polar Surface Area

67.963

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

-5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

References: we are preparing a list of scientific research reports with 8013-6808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6808?
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What is the minimum amount of 8013-6808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6808
  • 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 8013-6808 available by request