8013-6800 Screening compound: 5-[(Z)-1-(3-hydroxy-4-methoxyphenyl)methylidene]-1-methyl-2,4,6(1H,3H)-pyrimidinetrione

8013-6800 Screening compound: 5-[(Z)-1-(3-hydroxy-4-methoxyphenyl)methylidene]-1-methyl-2,4,6(1H,3H)-pyrimidinetrione
8013-6800 Screening compound: 5-[(Z)-1-(3-hydroxy-4-methoxyphenyl)methylidene]-1-methyl-2,4,6(1H,3H)-pyrimidinetrione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6800
5-[(Z)-1-(3-hydroxy-4-methoxyphenyl)methylidene]-1-methyl-2,4,6(1H,3H)-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

8013-6800

Molecular Formula

C13H12N2O5 (C13 H12 N2 O5)

Compound Name

5-[(Z)-1-(3-hydroxy-4-methoxyphenyl)methylidene]-1-methyl-2,4,6(1H,3H)-pyrimidinetrione

IUPAC name

(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-1-methyl-13-diazinane-246-trione

SMILES

CN(C(/C(/C(N1)=O)=C\c(cc2)cc(O)c2OC)=O)C1=O

InChI

InChI=1S/C13H12N2O5/c1-15-12(18)8(11(17)14-13(15)19)5-7-3-4-10(20-2)9(16)6-7/h3-6,16H,1-2H3,(H,14,17,19)

InChI Key

XOYRDCNYUNAUQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01565078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.691

Distribution Coefficient, logD

0.504

Water Solubility, LogSw

-1.96

Polar Surface Area

78.218

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

-6.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

8013-6800 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8013-6800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6800?
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What is the minimum amount of 8013-6800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6800
  • 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 8013-6800 available by request