8010-9104 Screening compound: (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione

8010-9104 Screening compound: (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
8010-9104 Screening compound: (5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-9104
(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione

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

8010-9104

Molecular Formula

C21H20N2O6 (C21 H20 N2 O6)

Compound Name

(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-5-[(34-dimethoxyphenyl)methylidene]-1-[(4-methoxyphenyl)methyl]-13-diazinane-246-trione

SMILES

COc1ccc(CN(C(/C(/C(N2)=O)=C/c(cc3)cc(OC)c3OC)=O)C2=O)cc1

InChI

InChI=1S/C21H20N2O6/c1-27-15-7-4-13(5-8-15)12-23-20(25)16(19(24)22-21(23)26)10-14-6-9-17(28-2)18(11-14)29-3/h4-11H,12H2,1-3H3,(H,22,24,26)

InChI Key

GIGCPJMUNFBDRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01828075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.489

Distribution Coefficient, logD

2.463

Water Solubility, LogSw

-3.01

Polar Surface Area

76.807

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 8010-9104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-9104?
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What is the minimum amount of 8010-9104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-9104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-9104
  • 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 8010-9104 available by request