1102-0041 Screening compound: (5E)-1-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

1102-0041 Screening compound: (5E)-1-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
1102-0041 Screening compound: (5E)-1-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1102-0041
(5E)-1-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-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

1102-0041

Molecular Formula

C19H16N2O5 (C19 H16 N2 O5)

Compound Name

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

IUPAC name

(5E)-1-(3-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-13-diazinane-246-trione

SMILES

COc1cccc(N(C(/C(/C(N2)=O)=C/c(cccc3)c3OC)=O)C2=O)c1

InChI

InChI=1S/C19H16N2O5/c1-25-14-8-5-7-13(11-14)21-18(23)15(17(22)20-19(21)24)10-12-6-3-4-9-16(12)26-2/h3-11H,1-2H3,(H,20,22,24)

InChI Key

YBXOPDDQZNTMSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.35

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

2.608

Distribution Coefficient, logD

2.512

Water Solubility, LogSw

-3.21

Polar Surface Area

68.565

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

-6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 1102-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1102-0041?
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What is the minimum amount of 1102-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1102-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1102-0041
  • 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 1102-0041 available by request